SCHEMBL10162508

SCHEMBL10162508

CCc1ccc(-c2cccc(NC)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRKCI P41743 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
PSMD14 O00487 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL10130798 0.83 TRPV3 (0.39) KCNH2SCN5APRKCITRPV3CYP2C9
SCHEMBL10161008 0.81 MAPK8 (0.49) MEN1KMT2ANPC1RAB9ACYP2C9
SCHEMBL10161651 0.78 CCR1 (0.52) MEN1KMT2ANPC1RAB9APRKCI
SCHEMBL10160861 0.78 ASIC3 (0.44) MEN1KMT2ANPC1RAB9ACYP2C9
SCHEMBL13136613 0.76 KARS1 (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL13514039 0.74 MEN1 (0.41) MEN1KMT2ANPC1RAB9APRKCI
SCHEMBL10161811 0.74 BTK (0.41) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL3151894 0.74 NCF1 (0.48) KCNH2SCN5AMEN1KMT2ARAB9A
SCHEMBL20718444 0.73 KDM4E (0.43) KCNH2SCN5AMEN1KMT2ATRPV3
SCHEMBL10160856 0.73 KMT2A (0.40) MEN1KMT2ANPC1RAB9APRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (4 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 KCNH2 341/4885SCN5A 1278/4885MEN1 3878/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KCNH2 341/4885SCN5A 1278/4885MEN1 3878/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KCNH2 341/4885SCN5A 1278/4885MEN1 3878/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KCNH2 341/4885SCN5A 1278/4885MEN1 3878/4885

“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.