SCHEMBL1938372

SCHEMBL1938372

COC(=O)c1cc(-c2ccccc2)ncn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 11/20 0.68
GAA P10253 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MIF P14174 1/20 0.46
ASIC3 Q9UHC3 1/20 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
SCHEMBL14758801 0.85 KMO (0.69) KMOKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1938479 0.85 KMO (0.72) KMOHSD17B10MAPTSMN1; SMN2
SCHEMBL28165562 0.84 NPC1 (0.50) KMOALDH1A1HPGDHSD17B10TP53
SCHEMBL28185066 0.84 TP53 (0.55) KMOTP53MAPT
SCHEMBL30459427 0.84 KMO (0.70) KMO
SCHEMBL1938336 0.84 KMO (0.70) KMO
SCHEMBL1938969 0.84 KMO (0.70) KMO
SCHEMBL1937823 0.84 SMN1; SMN2 (0.56) KMOADORA3ALDH1A1HPGDHSD17B10
SCHEMBL1938288 0.83 KMO (0.62) KMOGAAKDM4EALDH1A1HPGD
SCHEMBL25224968 0.82 KMO (0.80) KMO

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US claimed
CN-102238950-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use CHDI INC (US) 2011-11-09 CN claimed
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
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO claimed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
CN-106518845-B Kynurenin -3- monooxygenase inhibitor, pharmaceutical composition and its application method CHDI基金会股份有限公司 2019-09-13 CN disclosed
CN-103957913-B Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-30 CN 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-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-8536186-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2013-09-17 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
CN-102238950-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use CHDI INC (US) 2011-11-09 CN 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
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO 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-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KMO 1/4885GAA 253/4885ADORA3 323/4885
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R KMO 1445/4885GAA 4205/4885ADORA3 152/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KMO 1/4885GAA 253/4885ADORA3 323/4885

“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.