SCHEMBL2438499

SCHEMBL2438499

CO/N=C(\CCc1cc(C)on1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.46
DRD2 P14416 5/20 0.46
SLC6A4 P31645 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2434459 1.00 DRD4 (0.46) DRD4DRD2SLC6A4NPC1RAB9A
SCHEMBL7978069 0.80 DRD4 (0.43) DRD4DRD2SLC6A4MAPTTSHR
SCHEMBL2433489 0.80 DRD4 (0.43) DRD4DRD2SLC6A4NPC1RAB9A
SCHEMBL7974742 0.80 DRD4 (0.43) DRD4DRD2SLC6A4NPC1RAB9A
SCHEMBL2433682 0.80 DRD4 (0.43) DRD4DRD2SLC6A4MAPTTSHR
SCHEMBL2434132 0.79 DRD4 (0.44) DRD4DRD2SLC6A4
SCHEMBL2434128 0.79 DRD4 (0.44) DRD4DRD2SLC6A4
SCHEMBL2433288 0.74 SLC6A4 (0.60) DRD4DRD2SLC6A4
SCHEMBL7963848 0.74 SLC6A4 (0.60) DRD4DRD2SLC6A4
SCHEMBL2432566 0.72 SLC6A4 (0.49) DRD4DRD2SLC6A4

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 3 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
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US 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 DRD4 3036/4885DRD2 2185/4885SLC6A4 670/4885

“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.