SCHEMBL10148140

SCHEMBL10148140

COc1ccc(CN(CN2CCN(C)CC2)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
STAT1 P42224 1/20 0.46
MYD88 Q99836 1/20 0.45
RAB9A P51151 3/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACHE P22303 1/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL10148132 0.94 KMO (0.49) KMOMAPTALDH1A1MYD88RAB9A
SCHEMBL10148097 0.94 KMO (0.49) KMOMAPTALDH1A1MYD88RAB9A
SCHEMBL10148139 0.93 KMO (0.48) KMOMAPTALDH1A1STAT1MYD88
SCHEMBL10148137 0.92 KMO (0.47) KMOMAPTALDH1A1MYD88RAB9A
SCHEMBL10148167 0.86 KMO (0.54) KMOMAPTALDH1A1RAB9ARECQL
SCHEMBL10148168 0.86 KMO (0.54) KMOMAPTALDH1A1RAB9ARECQL
SCHEMBL10148131 0.85 KMO (0.53) KMOMAPTALDH1A1RAB9ARECQL
SCHEMBL425531 0.85 KMO (0.56) KMOMAPTALDH1A1STAT1MYD88
SCHEMBL10148142 0.83 KMO (0.51) KMOMAPTALDH1A1RAB9ARECQL
SCHEMBL10148145 0.83 KMO (0.49) KMOMAPTALDH1A1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 US disclosed
US-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER 2012-01-26 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-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885MAPT 898/4885ALDH1A1 843/4885

“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.