SCHEMBL16614196

SCHEMBL16614196

CC(CO)Cc1cc(Br)cc(Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
ALOX15 P16050 3/20 0.37
ALOX12 P18054 3/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ACLY P53396 1/20 0.33
WDR5 P61964 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HIF1A Q16665 2/20 0.32
GFER P55789 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 3/20 0.31

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
SCHEMBL16600020 0.82 GABRA1 (0.39) GABRA1GABRB1ALOX15ALOX12MEN1
SCHEMBL24824857 0.78 MEN1 (0.37) GABRA1GABRB1MEN1KMT2AMAPT
SCHEMBL30139194 0.78 MEN1 (0.37) GABRA1GABRB1MEN1KMT2AMAPT
SCHEMBL11590889 0.77 TSHR (0.37) GABRA1GABRB1ALOX15ALOX12MEN1
SCHEMBL257069 0.76 ACLY (0.43) GABRA1MEN1KMT2AMAPTPLA2G1B
SCHEMBL8822890 0.75 HSP90AA1 (0.48) ALOX15ALOX12MEN1KMT2AMAPT
SCHEMBL16600194 0.75 ALOX15 (0.43) GABRA1ALOX15ALOX12MEN1KMT2A
SCHEMBL14742005 0.74 CYP1A2 (0.40) ALOX15ALOX12MEN1KMT2AMAPT
SCHEMBL4004992 0.74 GABRA1 (0.44) GABRA1ALOX15ALOX12MEN1KMT2A
SCHEMBL14758383 0.73 ACLY (0.38) ALOX15MEN1KMT2AMAPTPLA2G1B

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-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
US-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-22 US disclosed
WO-2015047978-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2015-04-02 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-20160272611-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT GABRA1 2602/4885GABRB1 2667/4885ALOX15 43/4885

“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.