SCHEMBL68713

SCHEMBL68713

O=[N+]([O-])c1ccc(Cl)cc1CBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 5/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.52
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
LMNA P02545 1/20 0.46
VCAM1 P19320 1/20 0.46
PDE7A Q13946 4/20 0.45
PDE7B Q9NP56 2/20 0.45
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6525417 0.92 KMT2A (0.50) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL27688497 0.86 TSHR (0.55) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL29495064 0.85 MAPK1 (0.53) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL1509585 0.85 MAPK1 (0.53) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL67864 0.83 MAPK1 (0.60) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL27273104 0.83 MAPK1 (0.60) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL2949639 0.83 TSHR (0.60) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL68181 0.81 TSHR (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9191570 0.81 MAPK1 (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL6377973 0.81 MAPK1 (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247037-B2 1-(2,6-diazaspiro[3.3]heptan-6-yl)-5,6-dihydro-4h-benzo[f][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives and related compounds as vasopressin antagonists for the treatment of neuro-psychological disorders Neumora Therapeutics, Inc. (US) 2025-03-11 US disclosed
EP-3894414-B1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS NEUMORA THERAPEUTICS INC (US) 2024-04-10 EP disclosed
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-01-02 US disclosed
CN-114763356-B Pyrrolo-benzodiazepine compound, and preparation method and application thereof 沈阳药科大学 2023-06-20 CN disclosed
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2023-03-23 US disclosed
US-20230084719-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS, INC. 2023-03-16 US disclosed
EP-3634963-B1 1-(2-AZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS FOR TREATING NEUROPSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS INC (US) 2023-02-22 EP disclosed
CN-112334458-B 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-11-08 CN disclosed
CN-114763356-A Pyrrolobenzodiazepine compounds, and preparation method and application thereof 沈阳药科大学 2022-07-19 CN disclosed
US-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
EP-1789401-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-05-30 EP disclosed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 EP disclosed
US-7119088-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-20060194794-A1 Triazole compounds useful in therapy PFIZER INC 2006-08-31 US disclosed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO disclosed
WO-2006024820-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-03-09 WO disclosed
EP-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20040224420-A1 Sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-11 US disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11186577-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 TSHR 77/4885MAPK1 1064/4885KMT2A 3710/4885
US-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 TSHR 1046/4885MAPK1 4646/4885KMT2A 2520/4885
US-11858943-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1B, AVPR1A, AVPR2 TSHR 77/4885MAPK1 1064/4885KMT2A 3710/4885
US-12247037-B2 1-(2,6-diazaspiro[3.3]heptan-6-yl)-5,6-dihydro-4h-benzo[f][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives and related compounds as vasopressin antagonists for the treatment of neuro-psychological disorders AVPR1B, AVPR1A, AVPR2 TSHR 140/4885MAPK1 940/4885KMT2A 1960/4885
US-20230093235-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1B, AVPR1A, AVPR2 TSHR 77/4885MAPK1 1064/4885KMT2A 3710/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 TSHR 387/4885MAPK1 2153/4885KMT2A 4063/4885
US-20230084719-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS AVPR1B, AVPR1A, AVPR2 TSHR 92/4885MAPK1 912/4885KMT2A 1726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.