SCHEMBL4872103

SCHEMBL4872103

O=c1cc(-c2ccc(Cl)cc2)c(=O)[nH][nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 1/20 0.60
THRB P10828 1/20 0.60
TSHR P16473 1/20 0.60
SOD1 P00441 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NOTUM Q6P988 1/20 0.43
DAO P14920 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
AHR P35869 1/20 0.39
MAP4K4 O95819 2/20 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
SCHEMBL525877 0.81 MAPT (0.59) GAAKDM4EMAPTALDH1A1SOD1
SCHEMBL16060851 0.76 PDE3B (0.45) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL1013408 0.76 KIF11 (0.44) NOTUMDAOKDR
SCHEMBL3261864 0.73 KDM4E (0.46) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL4522255 0.73 GSTP1 (0.60) GAAKDM4EMAPTNOTUMTDP1
SCHEMBL3561082 0.72 MAPT (0.48) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL30740090 0.69 KDM4E (0.60) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11178624 0.69 KDM4E (0.60) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11685438 0.68 MCL1 (0.45) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL11689636 0.68 ALDH1A1 (0.47) GAAKDM4EMAPTALDH1A1MEN1

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-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators CNR1, CNR2, GPR18 GAA 4572/4885KDM4E 3990/4885MAPT 2587/4885

“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.