SCHEMBL775188

SCHEMBL775188

NCc1cc(Cl)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
TSHR P16473 3/20 0.54
ALOX15 P16050 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 1/20 0.46
CYP2A6 P11509 1/20 0.46
HPGD P15428 2/20 0.43
ALOX12 P18054 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 4/20 0.41
PNMT P11086 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL5108087 0.82 CYP3A4 (0.50) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL535139 0.81 CYP3A4 (0.54) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5095072 0.80 TSHR (0.48) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL701343 0.80 CYP2A6 (0.48) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL25368153 0.79 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL703030 0.79 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL775187 0.79 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL3786384 0.79 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL6055610 0.79 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27971896 0.79 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
CN-115925642-B Synthesis method of 1, 4-benzodiazepine Zhuo Zahuan derivative 枣庄学院 2025-02-07 CN disclosed
US-20240400583-A1 TRICYCLIC SULFAMIDES AND SULTAMS MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
CN-115785002-B Synthesis method of quinazoline heterocyclic derivative 枣庄学院 2024-10-11 CN disclosed
US-20240294548-A1 TRICYCLIC SULTAMS AND SULFAMIDES AS ANTITUMOR AGENTS PELOTON THERAPEUTICS INC. 2024-09-05 US disclosed
CN-118530186-A Synthesis method of quinazoline derivative 多氟多新材料股份有限公司 2024-08-23 CN disclosed
EP-4416136-A1 TRICYCLIC SULFAMIDES AND SULTAMS Merck Sharp & Dohme LLC (US) 2024-08-21 EP disclosed
EP-4387610-A1 TRICYCLIC SULTAMS AND SULFAMIDES AS ANTITUMOR AGENTS Peloton Therapeutics, Inc. (US) 2024-06-26 EP disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
WO-2023202583-A1 FXR REGULATOR AND USE THEREOF 北京大学 2023-10-26 WO 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
EP-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20050049255-A1 Therapeutic combinations PFIZER INC 2005-03-03 US disclosed
WO-2004108138-A1 THERAPEUTIC COMBINATIONS COMPRISING PDE INHIBITORS AND VASOPRESSIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108138-A1 THERAPEUTIC COMBINATIONS COMPRISING PDE INHIBITORS AND VASOPRESSIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-12-16 WO 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
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 (6 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-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 CYP3A4 5/4885TSHR 1046/4885ALOX15 945/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 CYP3A4 4526/4885TSHR 1575/4885ALOX15 3070/4885
US-20050049255-A1 Therapeutic combinations AVPR2, AVPR1B, AVPR1A CYP3A4 4560/4885TSHR 196/4885ALOX15 4216/4885
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 CYP3A4 496/4885TSHR 387/4885ALOX15 140/4885
US-20240294548-A1 TRICYCLIC SULTAMS AND SULFAMIDES AS ANTITUMOR AGENTS DCAF15, RBM39, DCAF1 CYP3A4 2914/4885TSHR 4019/4885ALOX15 3582/4885
US-20240400583-A1 TRICYCLIC SULFAMIDES AND SULTAMS DCAF15, RBM39, CARM1 CYP3A4 3289/4885TSHR 3992/4885ALOX15 3533/4885

“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.