SCHEMBL1937823

SCHEMBL1937823

COC(=O)c1cc(-c2cccc(OC)c2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 1/20 0.56
CYP1A2 P05177 7/20 0.52
CYP3A4 P08684 7/20 0.52
CYP2D6 P10635 7/20 0.52
CYP2C19 P33261 7/20 0.52
TSHR P16473 6/20 0.52
CLK4 Q9HAZ1 6/20 0.52
MAPK1 P28482 4/20 0.52
TP53 P04637 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HIF1A Q16665 2/20 0.52
KMO O15229 6/20 0.51
LMNA P02545 2/20 0.50
FAAH O00519 1/20 0.50
ALDH1A1 P00352 4/20 0.49
PLK1 P53350 1/20 0.49
HPGD P15428 2/20 0.48
THRB P10828 1/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL1937818 0.87 KMO (0.68) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Hydrochloric Acid SCHEMBL28789722 0.85 KMO (0.50) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1938479 0.84 KMO (0.72) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1938372 0.84 KMO (0.68) SMN1; SMN2MAPTTP53HSD17B10KMO
SCHEMBL1938969 0.83 KMO (0.70) KMO
SCHEMBL1938336 0.83 KMO (0.70) KMO
SCHEMBL30459427 0.83 KMO (0.70) KMO
SCHEMBL1939837 0.81 KMO (0.74) SMN1; SMN2MAPTCYP1A2CYP2C19KMO
SCHEMBL19385078 0.80 GRM5 (0.52) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL25224968 0.79 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 16 patents. 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
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
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-9145373-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-09-29 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
EP-2331095-B1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2014-10-15 EP disclosed
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 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
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
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 SMN1; SMN2 1120/4885MAPT 934/4885CYP1A2 354/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO SMN1; SMN2 1221/4885MAPT 865/4885CYP1A2 308/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA SMN1; SMN2 1120/4885MAPT 934/4885CYP1A2 354/4885

“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.