SCHEMBL2901740

SCHEMBL2901740

O=c1[nH]c(S)nnc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ XDH P47989 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL7322868 0.78 NPC1 (1.00) NPC1RAB9AL3MBTL1KDM4EMAPK1
SCHEMBL10436160 0.77 NPC1 (0.65) NPC1RAB9AL3MBTL1KDM4EMAPK1
SCHEMBL836636 0.73 NPC1 (0.59) NPC1RAB9AL3MBTL1KDM4EMAPK1
SCHEMBL836159 0.73 L3MBTL1 (0.63) NPC1RAB9AL3MBTL1KDM4EMAPK1
SCHEMBL143807 0.71 NPC1 (0.52) NPC1RAB9AL3MBTL1KDM4EMAPK1
SCHEMBL8524777 0.69 NPC1 (0.68) NPC1RAB9AL3MBTL1KDM4EMAPT
SCHEMBL7318431 0.69 PARP1 (0.56) NPC1RAB9AL3MBTL1KDM4EMAPK1
SCHEMBL2899875 0.68 ATM (0.60) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL8525087 0.67 NPC1 (0.64) NPC1RAB9AL3MBTL1KDM4EMAPT
SCHEMBL9255896 0.67 RAB9A (0.52) NPC1RAB9AL3MBTL1KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 — — EP disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 — — US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 — — US disclosed
EP-1874761-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Aventis Pharma S.A. (FR) 2008-01-09 — — EP disclosed
WO-2006111662-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA S.A. (FR) 2006-10-26 — — 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 (1 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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R NPC1 798/4885RAB9A 3868/4885L3MBTL1 4408/4885

“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.

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