SCHEMBL1938801

SCHEMBL1938801

Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)ncn2)cn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.58
CNR2 P34972 3/20 0.48
KCNQ3 O43525 3/20 0.47
KCNQ2 O43526 3/20 0.47
KCNE1 P15382 2/20 0.47
KCNQ1 P51787 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK10 P53779 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ATR Q13535 1/20 0.45
GRM5 P41594 2/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.44
SMO Q99835 1/20 0.44
KCNQ5 Q9NR82 1/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL30429649 1.00 KMO (0.58) KMOCNR2KCNQ3KCNQ2KCNE1
SCHEMBL1938464 0.87 KMO (0.62) KMOCNR2MAPTTP53ATR
SCHEMBL30428381 0.86 MEN1 (0.55) KMOCNR2KCNQ3KCNQ2KCNE1
SCHEMBL1939840 0.86 MEN1 (0.55) KMOCNR2KCNQ3KCNQ2KCNE1
SCHEMBL1938689 0.85 MAPT (0.64) KMOCNR2MAPTTP53POLB
SCHEMBL30429270 0.85 KMO (0.69) KMOCNR2KCNQ3KCNQ2KCNE1
SCHEMBL1938854 0.85 KMO (0.69) KMOCNR2KCNQ3KCNQ2KCNE1
SCHEMBL1938146 0.85 KMO (0.62) KMOCNR2ATRCNR1SMO
Hydrochloric Acid SCHEMBL1937303 0.84 MAPT (0.62) KMOCNR2MAPTTP53POLB
Hydrochloric Acid SCHEMBL1938332 0.84 KMO (0.67) KMOCNR2KCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US claimed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP claimed
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
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US disclosed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP 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 (2 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-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KMO 1/4885CNR2 319/4885KCNQ3 408/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885CNR2 374/4885KCNQ3 382/4885

“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.