SCHEMBL3767845

SCHEMBL3767845

NC(=O)C(Cl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
ACP3 P15309 2/20 0.46
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PRCP P42785 2/20 0.43
DHODH Q02127 1/20 0.42
IKBKB O14920 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WDR5 P61964 1/20 0.41

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
SCHEMBL1091960 0.87 EPHX1 (0.48) LMNATSHRSMN1; SMN2
SCHEMBL11839188 0.83 PTGS2 (0.59) PTGS2ACP3ABCC4LMNAGAA
SCHEMBL6213432 0.83 RXRA (0.46) DHODHIKBKB
Biphenyl SCHEMBL27965239 0.81 LMNA (0.52) PTGS2ABCC4LMNAGAATSHR
SCHEMBL11838676 0.80 SCN9A (0.49) DHODHIKBKB
Dimethylamine SCHEMBL7053166 0.80 LMNA (0.43) LMNATSHR
SCHEMBL11838671 0.78 CSNK2A1 (0.45) PTGS2LMNATSHRPTGS1FFAR1
SCHEMBL9015288 0.78 PTGS2 (0.52) PTGS2ACP3LMNACHRNB2CHRNA4
SCHEMBL1657158 0.78 SRC (0.58) PTGS2ACP3GAACHRNB2CHRNA4
SCHEMBL7193261 0.78 PTGS2 (0.52) PTGS2ACP3CHRNB2CHRNA4PRCP

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-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 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-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PTGS2 55/4885ACP3 755/4885ABCC4 1176/4885

“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.