SCHEMBL14758656

SCHEMBL14758656

O=C(c1cc(-c2ccc(Cl)c(Cl)c2)ncn1)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 13/20 0.63
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL14758597 0.95 KMO (0.57) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16217821 0.88 KMO (0.60) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16217823 0.88 KMO (0.60) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1938157 0.88 KMO (0.60) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14758569 0.88 KMO (0.60) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1939174 0.88 NPC1 (0.63) KMONPC1RAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL14742071 0.86 KMO (0.59) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14758608 0.85 KMO (0.57) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16217832 0.85 KMO (0.54) KMONPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16217836 0.85 KMO (0.54) KMONPC1RAB9ASMN1; SMN2HPGD

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 5 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
WO-2013033068-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO 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.