SCHEMBL2434079

SCHEMBL2434079

CNC(=O)CCC(=NOC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 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
SCHEMBL2434077 1.00 SLC6A4 (0.45) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2433030 0.87 HPGD (0.46) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2433028 0.87 HPGD (0.46) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2436544 0.86 POLB (0.49) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2436547 0.86 POLB (0.49) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2435782 0.86 HPGD (0.45) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2435783 0.86 HPGD (0.45) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2436710 0.85 HPGD (0.53) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL2436708 0.85 HPGD (0.53) SLC6A4DRD4DRD2HPGDCYP1A2
SCHEMBL20953933 0.85 SLC6A4 (0.48) SLC6A4DRD4DRD2HPGDCYP1A2

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 SLC6A4 670/4885DRD4 3036/4885DRD2 2185/4885

“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.