SCHEMBL4854539

SCHEMBL4854539

Cc1oc(-c2cccc(C#N)c2)nc1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NOTUM Q6P988 1/20 0.46
KDM1A O60341 2/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ADORA2A P29274 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
SCHEMBL1436140 0.81 MAPT (0.49) PPARAKDM1AALDH1A1RAB9AMAPT
SCHEMBL1436230 0.80 MAPT (0.56) KDM1AKDM4EMAPTLMNAHTT
SCHEMBL4850246 0.79 PPARG (0.43) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL12163868 0.79 KDM4E (0.50) PPARGPPARAKDM1AKDM4EALDH1A1
SCHEMBL5103142 0.79 RXFP1 (0.52) PPARGPPARAKDM1AKDM4EALDH1A1
SCHEMBL4425438 0.78 NOTUM (0.48) NOTUMKDM1AKDM4EALDH1A1RAB9A
SCHEMBL503999 0.78 KDM4E (0.64) PPARGPPARAKDM4EALDH1A1RAB9A
SCHEMBL2081784 0.77 MAPT (0.65) PPARGPPARANOTUMKDM1AKDM4E
SCHEMBL2329392 0.77 ALDH1A1 (0.61) KDM4EALDH1A1RAB9AMAPTTDP1
Hydrochloric Acid SCHEMBL3727637 0.76 ALDH1A1 (0.60) KDM4EALDH1A1RAB9AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PPARG 536/4885PPARA 519/4885NOTUM 151/4885

“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.