SCHEMBL1940243

SCHEMBL1940243

O=C(c1cc(-c2cccc(Cl)c2)ncn1)N1CC[C@H](O)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.57
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
LRRK2 Q5S007 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
GRM5 P41594 4/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
USP30 Q70CQ3 1/20 0.43
KDM5A P29375 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ATR Q13535 1/20 0.42
ADORA2B P29275 1/20 0.42
CNR2 P34972 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL1938658 1.00 KMO (0.57) KMOHPGDSMN1; SMN2STK4STK3
SCHEMBL2162993 1.00 KMO (0.57) KMOHPGDSMN1; SMN2STK4STK3
SCHEMBL1938307 0.94 KMO (0.61) KMOSMN1; SMN2STK4STK3LRRK2
SCHEMBL1939399 0.85 SMN1; SMN2 (0.64) KMOHPGDSMN1; SMN2GRM5NPC1
SCHEMBL16217830 0.85 KMO (0.56) KMOHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1937415 0.83 KMO (0.65) KMOHPGDSMN1; SMN2GRM5NPC1
SCHEMBL1937366 0.83 KMO (0.65) KMOHPGDSMN1; SMN2GRM5NPC1
SCHEMBL1938978 0.81 KMO (0.61) KMOSMN1; SMN2GRM5NPC1RAB9A
SCHEMBL1938325 0.81 NPC1 (0.64) KMOHPGDSMN1; SMN2STK4STK3
SCHEMBL1937805 0.81 NPC1 (0.63) KMOHPGDSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 1/4885HPGD 45/4885SMN1; SMN2 1120/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885HPGD 45/4885SMN1; SMN2 1221/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KMO 1/4885HPGD 45/4885SMN1; SMN2 1120/4885

“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.