SCHEMBL9288019

SCHEMBL9288019

CCc1ccccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
AHR P35869 5/20 0.48
PTGER1 P34995 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
HSD11B1 P28845 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRKCZ Q05513 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
PTGES2 Q9H7Z7 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
SCHEMBL11136480 0.86 AHR (0.46) TRPA1AHRPTGER1PTGER3PTGER2
SCHEMBL9289358 0.84 PTGS2 (0.57) TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9714863 0.82 AHR (0.42) AHRPTGER1PTGER3PTGER2HSD11B1
SCHEMBL9289943 0.82 CHEK1 (0.49) TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL1515713 0.81 PTGER1 (0.47) AHRPTGER1PTGER3PTGER2HSD11B1
SCHEMBL6048560 0.81 SLC6A4 (0.58) AHRSLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL6048509 0.80 SLC6A4 (0.56) AHRSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL10058354 0.79 PTGS2 (0.52) TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11647426 0.78 PTGER1 (0.53) TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9289984 0.78 CHRM1 (0.49) TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP TRPA1 3202/4885CSNK2A2 682/4885CSNK2B 358/4885

“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.