SCHEMBL3102273

SCHEMBL3102273

COc1ccc(-c2cc(C=O)c(C)o2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
APP P05067 4/20 0.43
ALDH1A1 P00352 4/20 0.41
ERN1 O75460 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
TNKS O95271 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SCD O00767 2/20 0.38
SCD5 Q86SK9 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TUBB4A P04350 1/20 0.37

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
SCHEMBL3102205 0.78 KDM4E (0.42) ALDH1A1NPC1RAB9ACASP3GLA
SCHEMBL3106747 0.77 EGFR (0.57) APPALDH1A1ERN1TRIM24TYR
SCHEMBL3110599 0.76 PTGER4 (0.50) PTGER4APPALDH1A1TNKSSCD
SCHEMBL3102052 0.75 ERN1 (0.47) ALDH1A1ERN1NPC1RAB9AHPGD
SCHEMBL3107575 0.74 ALDH1A1 (0.46) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL3098571 0.72 CYP11B1 (0.44) ERN1CYP1A2CYP2C19
SCHEMBL12924643 0.72 MAPT (0.44) PTGER4APPALDH1A1TNKSSCD
SCHEMBL3109953 0.71 BTK (0.43) APPERN1CYP1A2
SCHEMBL3090892 0.71 ALDH1A1 (0.44) APPALDH1A1ERN1TRIM24TYR
SCHEMBL3102009 0.71 ERN1 (0.53) ERN1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR PTGER4 1524/4885APP 3052/4885ALDH1A1 3963/4885

“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.