SCHEMBL426283

SCHEMBL426283

O=Cc1nc(-c2ccc(OCc3ccccc3)cc2F)[nH]c1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.43
MAOB P27338 6/20 0.43
MAOA P21397 5/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
PRMT5 O14744 3/20 0.40
ALOX5 P09917 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IP6K1 Q92551 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
XDH P47989 1/20 0.38

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
SCHEMBL429091 0.81 MAPT (0.42) TOP1MAOBMAOACTSVCTSL
SCHEMBL23413811 0.71 MAOA (0.50) TOP1MAOBMAOACTSVCTSL
SCHEMBL28901345 0.70 MAOA (0.51) TOP1MAOBMAOACTSVCTSL
SCHEMBL742149 0.70 MAOB (0.56) TOP1MAOBMAOACTSVCTSL
SCHEMBL8615058 0.70 TOP1 (0.46) TOP1MAOBMAOAALOX5KDM4E
SCHEMBL8612536 0.70 MAPT (0.46) TOP1MAOBMAOAALOX5KDM4E
SCHEMBL424007 0.70 MAPT (0.46) TOP1MAOBMAOAALOX5KDM4E
SCHEMBL31326472 0.70 MEN1 (0.43) TOP1MAOBMAOAALOX5SRD5A2
SCHEMBL17391603 0.69 MAOB (0.53) TOP1MAOBMAOAALOX5S1PR1
SCHEMBL8613864 0.69 MEN1 (0.46) TOP1MAOBMAOAALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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 (2 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI TOP1 2278/4885MAOB 2756/4885MAOA 2969/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TOP1 2278/4885MAOB 2756/4885MAOA 2969/4885

“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.