SCHEMBL1939192

SCHEMBL1939192

O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.59
MMP13 P45452 3/20 0.50
EIF4E P06730 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GRM4 Q14833 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
MAPK7 Q13164 1/20 0.43
MAPK14 Q16539 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL30459555 1.00 KMO (0.59) KMOMMP13EIF4ESMN1; SMN2CDK2
SCHEMBL1939392 0.85 KMO (0.58) KMOMMP13SMN1; SMN2ANO1MAPK7
SCHEMBL30428241 0.85 KMO (0.58) KMOMMP13SMN1; SMN2ANO1MAPK7
SCHEMBL1938295 0.83 KMO (0.79) KMOLMNAGRM4
SCHEMBL30459265 0.83 KMO (0.79) KMOLMNAGRM4
SCHEMBL14758714 0.82 KMO (0.65) KMO
SCHEMBL14742314 0.81 KMO (0.67) KMO
SCHEMBL1937785 0.80 KMO (0.62) KMO
SCHEMBL16217856 0.79 KMO (0.61) KMOLMNA
SCHEMBL14741942 0.79 KMO (0.61) 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 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
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
WO-2013033068-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO 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 KMO 1/4885MMP13 1254/4885EIF4E 4713/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885MMP13 956/4885EIF4E 4731/4885

“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.