SCHEMBL2437354

SCHEMBL2437354

CO/N=C(\CCC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
MAPT P10636 1/20 0.47
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HPGD P15428 1/20 0.43
PARP1 P09874 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
SCHEMBL2437356 1.00 KMT2A (0.57) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL2438177 0.85 CYP1A2 (0.43) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL2438174 0.85 CYP1A2 (0.43) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL390197 0.83 CYP1A2 (0.50) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL390196 0.83 CYP1A2 (0.50) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL11248774 0.83 PPARA (0.60) PPARAPPARG
SCHEMBL2433059 0.81 SLC6A4 (0.48) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL20953933 0.81 SLC6A4 (0.48) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL2433062 0.81 SLC6A4 (0.48) KMT2AALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8018274 0.80 ALDH1A1 (0.57) KMT2AALDH1A1MEN1CYP1A2CYP2D6

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US claimed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO claimed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA KMT2A 140/4885ALDH1A1 1158/4885MEN1 2251/4885

“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.