SCHEMBL3400948

SCHEMBL3400948

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCc3ccccn3)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
MAPK14 Q16539 4/20 0.37
SMO Q99835 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5AP P20292 1/20 0.35
MAOB P27338 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TEAD4 Q15561 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MMP13 P45452 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
SCHEMBL719109 0.93 EGFR (0.40) ALOX5MAPK14SMONPC1RAB9A
SCHEMBL718639 0.93 EGFR (0.37) ALOX5MAPK14SMONPC1RAB9A
SCHEMBL719088 0.91 PTGS2 (0.39) NPC1RAB9AMEN1KMT2ACYP4F2
SCHEMBL720498 0.91 CASP3 (0.40) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL717554 0.90 NPC1 (0.34) ALOX5NPC1RAB9AKMT2AALOX5AP
SCHEMBL721186 0.89 NPC1 (0.35) MAPK14NPC1RAB9AKMT2AMAOB
SCHEMBL719031 0.88 GPR132 (0.40) MAPK14NPC1RAB9AMAOBCYP4F2
SCHEMBL3402539 0.88 CASP3 (0.38) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL719915 0.87 NPC1 (0.45) NPC1RAB9AMEN1KMT2A
SCHEMBL718240 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ALMNA

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALOX5 943/4885MAPK14 394/4885SMO 307/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALOX5 943/4885MAPK14 394/4885SMO 307/4885

“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.