SCHEMBL12869832

SCHEMBL12869832

Cc1ccc(F)cc1C(=O)/C=C/N(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
GAA P10253 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.47
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX12 P18054 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
SCHEMBL1094419 0.84 CYP1A2 (0.58) CYP1A2CYP2C19GAATDP1HPGD
SCHEMBL1094423 0.84 CYP1A2 (0.58) CYP1A2CYP2C19GAATDP1HPGD
SCHEMBL486003 0.83 CYP1A2 (0.57) CYP1A2CYP2C19GAATDP1POLB
SCHEMBL486004 0.83 CYP1A2 (0.57) CYP1A2CYP2C19GAATDP1POLB
SCHEMBL3490146 0.82 GAA (0.68) CYP1A2CYP2C19GAATDP1HPGD
SCHEMBL30051056 0.82 GAA (0.68) CYP1A2CYP2C19GAATDP1HPGD
SCHEMBL2846957 0.82 GAA (0.68) CYP1A2CYP2C19GAATDP1HPGD
SCHEMBL23052958 0.81 LMNA (0.58) CYP1A2CYP2C19GAATDP1POLB
SCHEMBL17709004 0.81 CYP1A2 (0.58) CYP1A2CYP2C19GAATDP1POLB
SCHEMBL17709006 0.81 CYP1A2 (0.58) CYP1A2CYP2C19GAATDP1POLB

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-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides ELAN PHARMACEUTICALS, INC. 2011-02-10 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-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides CBR3, DRD4, SBDS CYP1A2 199/4885CYP2C19 414/4885GAA 1643/4885

“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.