SCHEMBL14758474

SCHEMBL14758474

COC(C)c1ccc(Br)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL2413818 0.79 MAPK1 (0.42) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL26307212 0.78 APLNR (0.40) APLNRMAPK1ALDH1A1MAPT
SCHEMBL27490666 0.78 MAPK1 (0.41) APLNRMEN1KMT2ATSHRMAPK1
SCHEMBL17319374 0.78 KDM4E (0.37) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL15853710 0.77 NR3C2 (0.40) LMNATP53HTTPDE2A
SCHEMBL15130833 0.77 APLNR (0.56) APLNRLMNAALDH1A1PDE2A
SCHEMBL2497862 0.76 APLNR (0.46) APLNRMEN1KMT2ATSHRMAPK1
SCHEMBL2698362 0.76 PDE2A (0.55) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL9910111 0.76 PDE2A (0.55) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL2004602 0.76 LMNA (0.64) APLNRMEN1KMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243515-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-10-16 EP disclosed
EP-3169684-B1 COMBINATION OF KMO INHIBITOR 6-(3-CHLORO-4-CYCLOPROPOXYPHENYL)PYRIMIDINE-4-CARBOXYLIC ACID WITH ANTIVIRAL AGENT FOR TREATING HIV RELATED NEUROLOGICAL DISORDERS CHDI FOUNDATION INC (US) 2019-06-26 EP disclosed
US-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
EP-3243515-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-11-15 EP disclosed
US-20170209440-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS CHDI FOUNDATION, INC. 2017-07-27 US disclosed
US-20170209440-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS CHDI FOUNDATION, INC. 2017-07-27 US disclosed
EP-2750677-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2017-03-22 EP disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
WO-2016011316-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS CHDI FOUNDATION, INC. (US) 2016-01-21 WO disclosed
WO-2013033085-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 (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-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO APLNR 2238/4885MEN1 1936/4885KMT2A 107/4885
US-20170209440-A1 METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS KMO, KYNU, PNPO APLNR 3153/4885MEN1 2856/4885KMT2A 418/4885

“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.