SCHEMBL2232987

SCHEMBL2232987

Cc1ccc2c(c1)-n1cnc(C=O)c1CC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 4/20 0.34
HCAR1 Q9BXC0 2/20 0.34
HPGD P15428 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SRD5A1 P18405 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
CYP19A1 P11511 2/20 0.31
CYP11B2 P19099 2/20 0.31
AADAT Q8N5Z0 1/20 0.31
IDH1 O75874 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2234256 0.89 NOTUM (0.38) ALDH1A1GABRG2GABRB3GABRA5HCAR1
SCHEMBL2236516 0.80 SRD5A1 (0.43) GABRG2GABRB3GABRA5HCAR1SRD5A1
SCHEMBL2233887 0.75 ALDH1A1 (0.35) ALDH1A1GABRG2GABRB3GABRA5HCAR1
SCHEMBL2235371 0.74 MAPT (0.37) ALDH1A1HPGDSRD5A1CYP11B2LMNA
SCHEMBL2235365 0.74 MAPT (0.37) ALDH1A1HPGDSRD5A1CYP11B2LMNA
SCHEMBL2235135 0.73 NOTUM (0.39) GABRG2GABRB3GABRA5HCAR1DRD2
SCHEMBL2237866 0.73 NOTUM (0.42) GABRG2GABRB3GABRA5HCAR1HDAC1
SCHEMBL2234002 0.72 ALOX12 (0.38) HCAR1SRD5A1AADAT
SCHEMBL2234607 0.71 HCAR1 (0.40) ALDH1A1HCAR1SRD5A1LMNA
SCHEMBL2237173 0.70 KDM4E (0.35) GABRG2GABRB3GABRA5DRD2CYP11B2

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 ALDH1A1 4182/4885GABRG2 2731/4885GABRB3 1763/4885

“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.