SCHEMBL1939840

SCHEMBL1939840

COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)ncn2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
KMO O15229 2/20 0.55
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 3/20 0.47
PABPC1 P11940 3/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 3/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL30428381 1.00 MEN1 (0.55) MEN1KMT2AKEAP1NFE2L2KMO
SCHEMBL1937824 0.86 KMO (0.58) MEN1KMT2AKMOPOLBSMN1; SMN2
SCHEMBL30429649 0.86 KMO (0.58) KMOPOLBMAPTCNR1CNR2
SCHEMBL1938801 0.86 KMO (0.58) KMOPOLBMAPTCNR1CNR2
SCHEMBL1940134 0.85 NPC1 (0.60) MEN1KMT2AKMOSMN1; SMN2RAB9A
SCHEMBL1937379 0.84 KMO (0.54) MEN1KMT2AKMOPOLBRAB9A
SCHEMBL30428908 0.84 KMO (0.54) MEN1KMT2AKMOPOLBRAB9A
SCHEMBL1938464 0.82 KMO (0.62) KMOSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL1938146 0.82 KMO (0.62) MEN1KMT2AKMOCNR1CNR2
SCHEMBL30428218 0.81 KMO (0.55) KMOPOLBMAPTCNR2KCNQ3

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 MEN1 2218/4885KMT2A 111/4885KEAP1 64/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO MEN1 1936/4885KMT2A 107/4885KEAP1 62/4885

“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.