SCHEMBL7547154

SCHEMBL7547154

Cc1cccc(C(=O)CCl)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 9/20 0.41
GSK3B P49841 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
MYC P01106 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HIF1A Q16665 3/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL7547028 0.83 CD44 (0.43) CD44CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7545488 0.83 CD44 (0.41) CD44CYP2D6CYP19A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9864094 0.82 CTNNB1 (0.40) CD44CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7472715 0.80 ERCC5 (0.58) ALDH1A1GSK3BLMNAMAPTHPGD
SCHEMBL30954405 0.80 ERCC5 (0.58) ALDH1A1GSK3BLMNAMAPTHPGD
SCHEMBL27608737 0.80 ERCC5 (0.46) CD44CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9116089 0.80 F2R (0.42) CD44ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5696406 0.79 G6PD (0.55) ALDH1A1GSK3BLMNAHTTMYC
SCHEMBL10948371 0.79 ALDH1A1 (0.60) CYP2C9ALDH1A1GSK3BLMNAHTT
SCHEMBL2533018 0.79 ALDH1A1 (0.47) CYP2C19ALDH1A1GSK3BLMNAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO 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 (2 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CD44 2344/4885CYP2D6 527/4885CYP19A1 918/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CD44 2344/4885CYP2D6 527/4885CYP19A1 918/4885

“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.