SCHEMBL4465876

SCHEMBL4465876

CC(C)(C)c1ccc(-c2nc3cccnc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.61
TNKS O95271 5/20 0.56
TNKS2 Q9H2K2 5/20 0.56
TRPV1 Q8NER1 4/20 0.53
PARP1 P09874 4/20 0.48
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
NPBWR1 P48145 1/20 0.44
METAP2 P50579 1/20 0.44
SCD O00767 1/20 0.43
GCGR P47871 1/20 0.42
DGAT1 O75907 1/20 0.41
KCNH2 Q12809 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TNF P01375 1/20 0.40
NOD1 Q9Y239 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
SCHEMBL3237120 0.85 TRPV1 (0.56) TNKSTNKS2TRPV1NPBWR1DGAT1
SCHEMBL4195594 0.81 NPC1 (0.53) TNKSTNKS2PARP1KDM4EALDH1A1
SCHEMBL2668125 0.80 NPC1 (0.56) TNKSTNKS2PARP1KDM4EALDH1A1
SCHEMBL5320202 0.80 NPC1 (0.40) HDAC6TNKSTNKS2TRPV1PARP1
SCHEMBL6245186 0.80 MAPT (0.58) TNKSTNKS2PARP1KDM4EALDH1A1
SCHEMBL9692278 0.80 KDM4E (0.54) TNKSTNKS2KDM4EALDH1A1KMT2A
SCHEMBL9975911 0.80 HPSE (0.41) TNKSTNKS2PARP1KDM4EALDH1A1
Methane SCHEMBL9692076 0.78 KDM4E (0.53) TNKSTNKS2KDM4EALDH1A1KMT2A
SCHEMBL15633796 0.78 NPC1 (0.46) PARP1KDM4EALDH1A1KMT2AMETAP2
SCHEMBL6755306 0.76 HDAC6 (1.00) HDAC6TNKSTNKS2TRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538113-B2 4-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-26 US disclosed
US-20060189618-A1 4-Substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-08-24 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-20060189618-A1 4-Substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor GNRHR, LHCGR, FSHR HDAC6 1529/4885TNKS 2751/4885TNKS2 3420/4885

“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.