SCHEMBL10324820

SCHEMBL10324820

CCN1CCC(c2cc(-c3ccc(C(=O)Nc4ccccn4)cc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.38
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
F2 P00734 1/20 0.36
MAPK14 Q16539 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BTK Q06187 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9975845 1.00 NPC1 (0.42) NPC1LMNATSHRRAB9AKMT2A
SCHEMBL9975722 0.88 GAA (0.41) KMT2AMEN1GAAALDH1A1
SCHEMBL9975695 0.85 CHRM5 (0.35) NPC1RAB9A
SCHEMBL9975823 0.85 CHRM5 (0.42)
SCHEMBL9941774 0.82 CHRM5 (0.32) LMNAALDH1A1
SCHEMBL9975687 0.82 PTPN2 (0.40) LMNATSHRRAB9AKMT2AMEN1
SCHEMBL9975857 0.82 PTPN2 (0.40) LMNATSHRRAB9AKMT2AMEN1
SCHEMBL9975652 0.81 KIT (0.37) LMNAGAAALDH1A1
SCHEMBL10323778 0.81 CHRM5 (0.35)
SCHEMBL10364959 0.81 CHRM3 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US 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 (3 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885LMNA 1774/4885TSHR 2854/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 NPC1 353/4885LMNA 2928/4885TSHR 4123/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885LMNA 1774/4885TSHR 2854/4885

“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.