SCHEMBL9260647

SCHEMBL9260647

Cc1cc(C(C)(C)C)ccc1-n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
ALDH1A1 P00352 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 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
SCHEMBL12391451 0.85 ALDH1A1 (0.57) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL21654018 0.84 ALDH1A1 (0.44) LMNAALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL15496653 0.82 LMNA (0.44) LMNAALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL16437249 0.81 CYP11B1 (0.57) LMNAALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL1885632 0.81 CYP3A4 (0.46) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL28477389 0.81 LMNA (0.43) LMNAALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL14120803 0.78 CYP11B1 (0.57) LMNAALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL13990748 0.78 GRIK1 (0.52) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL13997437 0.78 CYP3A4 (0.44) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL16983194 0.78 IDO1 (0.61) LMNAALDH1A1PDE4APDE4BPDE4C

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 LMNA 3777/4885ALDH1A1 3654/4885PDE4A 4279/4885

“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.