SCHEMBL16217832

SCHEMBL16217832

O=C(c1cc(-c2ccc(Cl)c(Cl)c2)ncn1)N1CCC[C@@H](O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 14/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CLK2 P49760 1/20 0.43
ROCK1 Q13464 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
STK17A Q9UEE5 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL16217836 1.00 KMO (0.54) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16217830 0.93 KMO (0.56) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14758606 0.88 KMO (0.53) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1938157 0.88 KMO (0.60) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14758656 0.85 KMO (0.63) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14742082 0.84 KMO (0.48) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14742278 0.83 KMO (0.55) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16210327 0.83 KMO (0.55) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14741998 0.83 KMO (0.57) KMONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14758655 0.82 KMO (0.53) KMONPC1RAB9ASMN1; SMN2ALDH1A1

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.