SCHEMBL4174253

SCHEMBL4174253

O=C(C=Cc1cccnc1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.74
KDM4E B2RXH2 4/20 0.74
MAPT P10636 4/20 0.74
NPC1 O15118 4/20 0.74
PKM P14618 2/20 0.74
LMNA P02545 1/20 0.74
CYP1A1 P04798 7/20 0.61
CYP1A2 P05177 7/20 0.61
CYP1B1 Q16678 7/20 0.61
CYP3A4 P08684 5/20 0.61
CYP2D6 P10635 5/20 0.61
PFKFB3 Q16875 1/20 0.61
JUN P05412 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL3659102 1.00 RAB9A (0.74) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL4400320 0.85 MAPT (1.00) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL977480 0.85 MAPT (1.00) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL12257967 0.84 MAPT (0.90) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL979409 0.83 CYP1B1 (0.83) RAB9AKDM4EMAPTNPC1LMNA
SCHEMBL9221198 0.83 NPC1 (0.81) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL7368933 0.83 CYP1B1 (0.83) RAB9AKDM4EMAPTNPC1LMNA
SCHEMBL9221208 0.83 NPC1 (0.81) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL4178737 0.80 MAPT (0.62) RAB9AKDM4EMAPTNPC1PKM
SCHEMBL4181070 0.80 MAPT (0.62) RAB9AKDM4EMAPTNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074108-A1 Matrix metalloprotease (MMP) inhibitors and their application in cosmetic and pharmaceutical composition BIODERM RESEARCH (US) 2006-04-06 US claimed
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK RAB9A 149/4885KDM4E 2074/4885MAPT 2885/4885

“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.