SCHEMBL4638429

SCHEMBL4638429

Nc1ccc(C=Cc2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
ATM Q13315 2/20 0.64
CYP19A1 P11511 3/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
GRM4 Q14833 3/20 0.55
KDM1A O60341 3/20 0.54
MAPT P10636 2/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL31611950 1.00 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM
SCHEMBL16070584 1.00 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29419010 0.89 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28595722 0.89 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29389283 0.83 MEN1 (0.76) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30195162 0.83 MEN1 (0.76) MEN1KMT2ANPC1RAB9AATM
SCHEMBL461986 0.83 MEN1 (0.76) MEN1KMT2ANPC1RAB9AATM
SCHEMBL461985 0.83 MEN1 (0.76) MEN1KMT2ANPC1RAB9AATM
SCHEMBL16070464 0.83 NPC1 (0.53) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL8045709 0.81 MEN1 (0.73) MEN1KMT2ANPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111004215-B 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs 华北理工大学 2022-08-09 CN claimed
CN-111004215-A 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs 华北理工大学 2020-04-14 CN claimed
CN-110172037-A A kind of pyridine structure contained styrylpyridinium compound, preparation method and its application for preparing anti-tumor drug 华北理工大学 2019-08-27 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 US disclosed
CN-111004215-B 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs 华北理工大学 2022-08-09 CN disclosed
US-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-09-30 US disclosed
CN-111304778-A Method for preparing two-photon fluorescent skin-color spandex 华峰重庆氨纶有限公司 2020-06-19 CN disclosed
CN-111004215-A 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs 华北理工大学 2020-04-14 CN disclosed
CN-110172037-A A kind of pyridine structure contained styrylpyridinium compound, preparation method and its application for preparing anti-tumor drug 华北理工大学 2019-08-27 CN disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
EP-1648401-A2 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED 2- 2-(4-AMINOPHENYL)ETHENYL|-1-PYRIDINIUM DERIVATIVE, METHOD FOR TREATING KERATIN FIBRES USING THE ABOVE, DEVICE AND USE L'OREAL (FR) 2006-04-26 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20050191253-A1 Composition comprising at least one substituted 2-[2-(4-amino phenyl)ethenyl]-1-pyridinium derivative, process for treating keratin fibres using it, device and use thereof L'OREAL S.A. (FR) 2005-09-01 US disclosed
WO-2005004822-A3 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED 2-[2-(4-AMINOPHENYL)ETHENYL]-1-PYRIDINIUM DERIVATIVE, METHOD FOR TREATING KERATIN FIBRES USING THE ABOVE, DEVICE AND USE OREAL (FR) 2005-06-02 WO disclosed
WO-2005004822-A2 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED 2-[2-(4-AMINOPHENYL)ETHENYL]-1-PYRIDINIUM DERIVATIVE, METHOD FOR TREATING KERATIN FIBRES USING THE ABOVE, DEVICE AND USE L'OREAL (FR) 2005-01-20 WO disclosed
WO-2005004822-A2 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED 2-[2-(4-AMINOPHENYL)ETHENYL]-1-PYRIDINIUM DERIVATIVE, METHOD FOR TREATING KERATIN FIBRES USING THE ABOVE, DEVICE AND USE L'OREAL (FR) 2005-01-20 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 (3 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-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION HAVCR2, CBR3, C1R MEN1 3433/4885KMT2A 2616/4885NPC1 1358/4885
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection HAVCR2, CBR3, C1R MEN1 3433/4885KMT2A 2616/4885NPC1 1358/4885
US-20050191253-A1 Composition comprising at least one substituted 2-[2-(4-amino phenyl)ethenyl]-1-pyridinium derivative, process for treating keratin fibres using it, device and use thereof KRT18, TPM4, KLK5 MEN1 3862/4885KMT2A 625/4885NPC1 4607/4885

“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.