SCHEMBL16249346

SCHEMBL16249346

O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 5/20 0.53
CXCR3 P49682 2/20 0.53
PTGS2 P35354 1/20 0.46
SLC6A9 P48067 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 4/20 0.44
AKT1 P31749 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PDE2A O00408 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL10605790 0.89 LMNA (0.51) CXCR3AKT1L3MBTL1PDE2AHDAC3
SCHEMBL20898400 0.85 WDR91 (0.54) WDR91CXCR3POLBL3MBTL1HDAC3
SCHEMBL28545624 0.82 NPC1 (0.50) WDR91CXCR3PTGS2POLBCCR1
SCHEMBL16161986 0.82 HDAC4 (0.47) WDR91CXCR3SLC6A9HDAC3HDAC1
SCHEMBL28793250 0.82 CXCR3 (0.51) CXCR3POLBL3MBTL1HDAC3HDAC1
SCHEMBL20898603 0.81 IDO1 (0.59)
SCHEMBL14879488 0.81 WDR91 (0.50) WDR91CXCR3PTGS2POLBCCR1
SCHEMBL20899151 0.81 FLT1 (0.52) WDR91CXCR3POLBFLT1FLT4
SCHEMBL29060652 0.79 LMNA (0.47) POLBL3MBTL1PDE2AHDAC3HDAC1
SCHEMBL22438959 0.79 WDR91 (0.57) WDR91CXCR3L3MBTL1HDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343019-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-11-20 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-20140343019-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT1 WDR91 975/4885CXCR3 1039/4885PTGS2 674/4885

“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.