SCHEMBL2435783

SCHEMBL2435783

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
NLRP1 Q9C000 1/20 0.45
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2435782 1.00 HPGD (0.45) HPGDNLRP1DRD4DRD2SLC6A4
SCHEMBL2434077 0.86 SLC6A4 (0.45) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2434079 0.86 SLC6A4 (0.45) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2434162 0.84 HPGD (0.46) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2434159 0.84 HPGD (0.46) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2433030 0.84 HPGD (0.46) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2433028 0.84 HPGD (0.46) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2436544 0.83 POLB (0.49) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2436547 0.83 POLB (0.49) HPGDDRD4DRD2SLC6A4MAPT
SCHEMBL2436710 0.81 HPGD (0.53) HPGDDRD4DRD2SLC6A4MAPT

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 40/4885NLRP1 2797/4885DRD4 3036/4885

“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.