SCHEMBL429091

SCHEMBL429091

OCc1nc(-c2ccc(OCc3ccccc3)cc2F)[nH]c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOD2 Q9HC29 1/20 0.41
PRMT5 O14744 3/20 0.41
ALOX5 P09917 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
AMY1A P0DUB6 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
SRD5A2 P31213 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL426283 0.81 TOP1 (0.43) KDM4EPRMT5ALOX5MAOAMAOB
SCHEMBL424007 0.77 MAPT (0.46) MAPTNPSR1KDM4EMAPK1HSP90AA1
SCHEMBL8615466 0.72 S1PR1 (0.48) MAPTNPSR1KDM4EMAPK1HSP90AA1
SCHEMBL8612536 0.71 MAPT (0.46) MAPTNPSR1KDM4EMAPK1HSP90AA1
SCHEMBL8615058 0.71 TOP1 (0.46) MAPTNPSR1KDM4EMAPK1HSP90AA1
SCHEMBL424142 0.71 MRGPRX4 (0.44) KDM4EHSP90AA1MAOAMAOBALDH1A1
SCHEMBL17443554 0.70 GSTP1 (0.56) MAPTNPSR1KDM4EMAPK1HSP90AA1
SCHEMBL3770492 0.70 MAOB (0.55) ALOX5MAOBCYP1A2FFAR1
SCHEMBL8614719 0.69 FEN1 (0.49) MAPTNPSR1KDM4EMAPK1HSP90AA1
SCHEMBL8613864 0.69 MEN1 (0.46) MAPTNPSR1KDM4EMAPK1HSP90AA1

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 MAPT 4033/4885NPSR1 4321/4885KDM4E 1520/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAPT 4033/4885NPSR1 4321/4885KDM4E 1520/4885

“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.