SCHEMBL9254425

SCHEMBL9254425

COc1ccc(Cl)cc1-c1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
AGPAT2 O15120 2/20 0.45
MME P08473 1/20 0.44
MMEL1 Q495T6 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CTSA P10619 3/20 0.44
HPGD P15428 4/20 0.43
CASR P41180 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHFR P00374 1/20 0.42
USP2 O75604 1/20 0.42
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL16712950 0.92 CTSA (0.48) ERN1AGPAT2CTSACASRDHFR
SCHEMBL2006306 0.89 ADRB2 (0.52) ERN1AGPAT2MMEMMEL1ALDH1A1
SCHEMBL5236993 0.89 ADRB2 (0.52) ERN1AGPAT2MMEMMEL1ALDH1A1
SCHEMBL9258765 0.87 ERN1 (0.53) ERN1CTSACASRDHFR
SCHEMBL2785782 0.84 ALDH1A1 (0.53) ERN1AGPAT2ALDH1A1KDM4EHPGD
SCHEMBL10093048 0.82 AGPAT2 (0.57) ERN1AGPAT2ALDH1A1KDM4EHPGD
SCHEMBL23525668 0.81 ERN1 (0.48) ERN1ALDH1A1KDM4ECASRMEN1
SCHEMBL16710318 0.81 PDE4B (0.49) CTSASMN1; SMN2MAPK10TSHR
SCHEMBL3759371 0.80 PTGDR2 (0.57) ERN1AGPAT2ALDH1A1KDM4EHPGD
SCHEMBL29634149 0.80 PTGDR2 (0.57) ERN1AGPAT2ALDH1A1KDM4EHPGD

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 ERN1 3670/4885AGPAT2 752/4885MME 1260/4885

“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.