SCHEMBL1940134

SCHEMBL1940134

COc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)ncn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
KMO O15229 2/20 0.57
GRM4 Q14833 1/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 2/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TRPV1 Q8NER1 1/20 0.51
EGFR P00533 1/20 0.51
ERBB3 P21860 1/20 0.51

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
SCHEMBL1937824 0.90 KMO (0.58) NPC1RAB9AKMOMEN1KMT2A
SCHEMBL1937379 0.88 KMO (0.54) NPC1RAB9AKMOGRM4MEN1
SCHEMBL30428908 0.88 KMO (0.54) NPC1RAB9AKMOGRM4MEN1
SCHEMBL1937352 0.85 KMO (0.61) NPC1RAB9AKMOGRM4MEN1
SCHEMBL1939840 0.85 MEN1 (0.55) NPC1RAB9AKMOMEN1KMT2A
SCHEMBL30428381 0.85 MEN1 (0.55) NPC1RAB9AKMOMEN1KMT2A
SCHEMBL1938412 0.85 KMO (0.73) NPC1RAB9AKMOGRM4MEN1
SCHEMBL1938784 0.82 KMO (0.57) NPC1RAB9AKMOMEN1KMT2A
SCHEMBL1938146 0.81 KMO (0.62) KMOMEN1KMT2AALDH1A1
SCHEMBL1938464 0.81 KMO (0.62) NPC1RAB9AKMOMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US claimed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP claimed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US disclosed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 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-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA NPC1 2210/4885RAB9A 4300/4885KMO 1/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO NPC1 2390/4885RAB9A 4295/4885KMO 1/4885

“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.