SCHEMBL681379

SCHEMBL681379

CNCc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.46
SLC6A2 P23975 4/20 0.46
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 1/20 0.44
SLC6A3 Q01959 2/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTR2A P28223 2/20 0.42
IFNAR1 P17181 1/20 0.42
FDPS P14324 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 1/20 0.41
RCE1 Q9Y256 1/20 0.40
PKM P14618 1/20 0.40

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
Hydrochloric Acid SCHEMBL9993086 0.98 CYP3A4 (0.48) SLC6A4SLC6A2KDM4ECYP3A4MAPT
SCHEMBL14723910 0.85 KDM4E (0.40) SLC6A4SLC6A2KDM4ECYP3A4MAPT
SCHEMBL11100773 0.82 ALDH1A1 (0.41) SLC6A4SLC6A2KDM4ECYP3A4MAPT
SCHEMBL31265560 0.82 SLC6A4 (0.57) SLC6A4SLC6A2KDM4ECYP3A4MAPT
SCHEMBL8016874 0.82 SLC6A4 (0.57) SLC6A4SLC6A2KDM4ECYP3A4MAPT
SCHEMBL2129001 0.80 TSHR (0.52) SLC6A4SLC6A2KDM4ECYP3A4SLC6A3
SCHEMBL12728085 0.78 SLC6A4 (0.68) SLC6A4SLC6A2KDM4ECYP3A4MAPT
Dimethylamine SCHEMBL11246881 0.78 SMN1; SMN2 (0.43) SLC6A4SLC6A2KDM4ECYP3A4MAPT
SCHEMBL31018278 0.78 ALDH1A1 (0.50) SLC6A2KDM4ECYP3A4MAPTALDH1A1
SCHEMBL18539287 0.78 ALDH1A1 (0.50) SLC6A2KDM4ECYP3A4MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2021-11-11 US disclosed
US-20210336157-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-28 US disclosed
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI INTERVET INC. (US) 2021-09-23 US disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
US-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2021-06-15 US disclosed
EP-0549666-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. PFIZER (US) 1993-07-07 EP disclosed
WO-1992005164-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1992-04-02 WO disclosed
US-4906630-A Method of increasing cardiac contractility using pharmaceutical compositions comprising benzodiazinone- pyridazinone or hydroxy-pyrazolyl compounds RORER PHARMACEUTICAL CORPORATION (US) 1990-03-06 US disclosed
US-4868300-A INOTROPIC AGENTS, CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1989-09-19 US disclosed
US-4785101-A CONGESTIVE HEART FAILURE RORER PHARMACEUTICAL CORPORATION (US) 1988-11-15 US disclosed
EP-0247177-A4 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1988-04-06 EP disclosed
US-4725686-A CONGESTIVE HEART FAILURE WILLIAM H. RORER, INC. (US) 1988-02-16 US disclosed
EP-0247177-A1 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-12-02 EP disclosed
WO-1987003201-A1 BENZODIAZINONE-PYRIDAZINONE AND HYDROXY-PYRAZOLYL COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-06-04 WO disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US 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 (5 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-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection HEXD, SORD, SDHA SLC6A4 4053/4885SLC6A2 4200/4885KDM4E 4069/4885
US-20210347730-A1 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, PPARD SLC6A4 1482/4885SLC6A2 1720/4885KDM4E 4510/4885
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI SORD, HEXD, SDHA SLC6A4 3876/4885SLC6A2 4378/4885KDM4E 3794/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 SLC6A4 3816/4885SLC6A2 3091/4885KDM4E 2039/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 SLC6A4 1828/4885SLC6A2 2330/4885KDM4E 4293/4885

“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.