SCHEMBL10148121

SCHEMBL10148121

COc1ccc(CNc2nc(-c3cccc([N+](=O)[O-])c3)c(CN3CCN(C)CC3)s2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.64
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDE4D Q08499 1/20 0.42
PDE4B Q07343 1/20 0.42
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MYD88 Q99836 1/20 0.41
TGFBR1 P36897 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 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
SCHEMBL10148111 0.94 KMO (0.72) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148119 0.93 KMO (0.74) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148126 0.92 KMO (0.64) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148120 0.91 KMO (0.63) KMOJAK2JAK3PTK2MAPT
SCHEMBL428975 0.85 KMO (0.87) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148130 0.85 KMO (0.71) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148109 0.83 KMO (0.57) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148125 0.83 KMO (0.55) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148122 0.82 KMO (0.55) KMOMAPTALDH1A1MEN1KMT2A
SCHEMBL10148210 0.82 KMO (0.53) KMOMAPTALDH1A1MEN1KMT2A

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 1/4885JAK2 1125/4885JAK3 840/4885

“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.