SCHEMBL9257913

SCHEMBL9257913

CC(C)c1ccc(-c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
AHR P35869 5/20 0.42
TP53 P04637 2/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
ADRB2 P07550 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PGR P06401 1/20 0.38
RORC P51449 1/20 0.38
MMEL1 Q495T6 1/20 0.38
CNR2 P34972 1/20 0.38
PTPN1 P18031 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL9254409 0.84 AHR (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2473835 0.83 AHR (0.54) AHRTP53HTR2BPDE4DLMNA
SCHEMBL14670466 0.82 LMNA (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7453666 0.81 AKR1C3 (0.57) PDE4DLMNAAKR1C3AKR1C2
SCHEMBL1047205 0.79 TP53 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9629264 0.79 HTR2B (0.50) AHRTP53HTR2BPDE4DCNR2
SCHEMBL4445026 0.79 AHR (0.67) AHRTP53HTR2BPDE4DCNR2
SCHEMBL9876894 0.79 ADRB2 (0.50) AHRTP53ADRB2LMNA
SCHEMBL13524519 0.78 CYP2A6 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14670096 0.78 LMNA (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 3970/4885PRKAG1 4337/4885PRKAA2 3197/4885

“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.