SCHEMBL16217834

SCHEMBL16217834

O=C(NC1CCOCC1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 15/20 0.58
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR2 P34972 1/20 0.53
EIF4E P06730 2/20 0.50

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
SCHEMBL30429275 1.00 KMO (0.58) KMOMEN1NPC1RAB9AKMT2A
SCHEMBL16217858 0.93 KMO (0.56) KMOMEN1NPC1RAB9AKMT2A
SCHEMBL14758893 0.93 KMO (0.56) KMOMEN1NPC1RAB9AKMT2A
SCHEMBL30429300 0.84 KMO (0.55) KMONPC1RAB9ACNR2EIF4E
SCHEMBL14742296 0.84 KMO (0.55) KMONPC1RAB9ACNR2EIF4E
SCHEMBL14758557 0.82 KMO (0.56) KMOMEN1NPC1RAB9AKMT2A
SCHEMBL16217869 0.82 KMO (0.56) KMOMEN1NPC1RAB9AKMT2A
SCHEMBL16217871 0.82 KMO (0.56) KMOMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL30428404 0.81 KMO (0.55) KMOMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL30429210 0.81 KMO (0.55) KMOMEN1NPC1RAB9AKMT2A

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 1/4885MEN1 1936/4885NPC1 2390/4885

“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.