SCHEMBL16217841

SCHEMBL16217841

Cn1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 8/20 0.61
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MAPK7 Q13164 1/20 0.47
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44

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
SCHEMBL30429186 1.00 KMO (0.61) KMONPC1RAB9AMAPK7MAPT
SCHEMBL30429269 0.85 KMO (0.57) KMONPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1938374 0.85 KMO (0.57) KMONPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14742111 0.79 KMO (0.70) KMORAB9AMAPT
SCHEMBL1938471 0.79 KMO (0.66) KMOMAPK7
SCHEMBL30429265 0.79 KMO (0.66) KMOMAPK7
SCHEMBL14758683 0.78 KMO (0.62) KMO
SCHEMBL30428931 0.78 KMO (0.62) KMO
SCHEMBL30429175 0.78 KMO (0.72) KMONPC1RAB9ASMN1; SMN2
SCHEMBL1939010 0.78 KMO (0.72) KMONPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885NPC1 2390/4885RAB9A 4295/4885

“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.