SCHEMBL2433231

SCHEMBL2433231

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
KMO O15229 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL2433228 1.00 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2434162 0.89 HPGD (0.46) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2434159 0.89 HPGD (0.46) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2436710 0.84 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2436708 0.84 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2433030 0.83 HPGD (0.46) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2433028 0.83 HPGD (0.46) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2434077 0.81 SLC6A4 (0.45) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2434079 0.81 SLC6A4 (0.45) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2435782 0.80 HPGD (0.45) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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 HPGD 40/4885CYP1A2 414/4885CYP2D6 340/4885

“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.