SCHEMBL424007

SCHEMBL424007

OCc1c[nH]c(-c2ccc(OCc3ccccc3)cc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
NOD2 Q9HC29 1/20 0.43
ALOX5 P09917 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
GSTP1 P09211 1/20 0.42
P2RY14 Q15391 1/20 0.41
TOP1 P11387 1/20 0.40
PDK2 Q15119 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CYP3A4 P08684 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARD Q03181 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
SCHEMBL7160091 0.81 PRMT5 (0.51) MAOBGSTP1
SCHEMBL424142 0.79 MRGPRX4 (0.44) KDM4EHSP90AA1MAOAMAOBTRPM8
SCHEMBL429091 0.77 MAPT (0.42) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL20162805 0.77 DHODH (0.38) KDM4E
SCHEMBL30037257 0.77 DHODH (0.38) KDM4E
SCHEMBL3698954 0.75 DCUN1D1 (0.44) MAPTMAPK1
SCHEMBL17443554 0.74 GSTP1 (0.56) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL8612083 0.74 S1PR1 (0.48) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL8615466 0.73 S1PR1 (0.48) MAPTNPSR1MAPK1KDM4EHSP90AA1
SCHEMBL10554538 0.73 PRMT5 (0.50) MAOBGSTP1FFAR1CYP4F2CYP4A11

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 4321/4885MAPK1 1446/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAPT 4033/4885NPSR1 4321/4885MAPK1 1446/4885

“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.