SCHEMBL2434159

SCHEMBL2434159

CON=C(CCC(=O)NCC(C)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
PTGS2 P35354 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
KMO O15229 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL2434162 1.00 HPGD (0.46) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2433228 0.89 HPGD (0.41) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2433231 0.89 HPGD (0.41) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2433028 0.85 HPGD (0.46) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2433030 0.85 HPGD (0.46) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2435782 0.84 HPGD (0.45) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2435783 0.84 HPGD (0.45) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2436710 0.83 HPGD (0.53) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2436708 0.83 HPGD (0.53) HPGDMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2434077 0.83 SLC6A4 (0.45) HPGDMAPTCYP1A2CYP2D6CYP2C9

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 7 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-2011110852-A1 POLYMORPHIC FORMS OF 6- [2- (4 -CYANOPHENYL) - 2H - PYRAZOL - 3 - YL] - 5 -METHYL - 3 - OXO - 4 - (TRIFLUOROMETHYL - PHENYL) 3,4-DIHYDROPYRAZINE-2-CARBOXYLIC ACID ETHYLAMIDE ASTRAZENECA AB (SE) 2011-09-15 WO disclosed
EP-2217591-A1 SOME 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO disclosed
WO-2009061271-A1 SOME 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-05-14 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 HPGD 40/4885MAPT 852/4885CYP1A2 414/4885

“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.