SCHEMBL5865111

SCHEMBL5865111

N=[C]c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GRM5 P41594 1/20 0.43
CHAT P28329 1/20 0.43
CYP1A2 P05177 6/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 2/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2C P18825 1/20 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
SCHEMBL507946 0.80 CA1 (0.47) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL10804459 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL2776015 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL814962 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL29661843 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1141298 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL6364668 0.77 CHAT (0.58) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL5639675 0.76 CA1 (0.63) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1027269 0.75 CA1 (0.47) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL103697 0.75 ALDH1A1 (0.48) CA1CA2ALDH1A1HSD17B10CYP2A6

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-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
CN-1610666-A Benzamidine derivative SANKYO CO (JP) 2005-04-27 CN disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 CA1 2734/4885CA2 443/4885ALDH1A1 1382/4885

“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.