SCHEMBL7544313

SCHEMBL7544313

CC(=O)N(Br)c1c(Cl)cccc1C(=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ AGER Q15109 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8478831 0.79 TSHR (0.50) TP53ALDH1A1ALOX15MEN1KMT2A
SCHEMBL2189708 0.75 ALDH1A1 (0.57) TP53ALDH1A1ALOX15MEN1KMT2A
SCHEMBL30402632 0.74 AGER (0.52) TP53ALDH1A1ALOX15MEN1KMT2A
SCHEMBL611462 0.72 MEN1 (0.54) ALDH1A1ALOX15MEN1KMT2ACES2
SCHEMBL7544330 0.71 ALDH1A1 (0.48) TP53ALDH1A1ALOX15MEN1KMT2A
SCHEMBL30293901 0.71 CES2 (0.71) ALDH1A1ALOX15MEN1KMT2ACES2
SCHEMBL250099 0.71 CES2 (0.71) ALDH1A1ALOX15MEN1KMT2ACES2
SCHEMBL31574193 0.69 CES2 (0.68) ALDH1A1ALOX15MEN1KMT2ACES2
Hydrochloric Acid SCHEMBL27733532 0.69 CES2 (0.68) ALDH1A1ALOX15MEN1KMT2ACES2
SCHEMBL27185988 0.69 CES2 (0.68) ALDH1A1ALOX15MEN1KMT2ACES2

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 TP53 4207/4885ALDH1A1 1169/4885ALOX15 3842/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 TP53 4207/4885ALDH1A1 1169/4885ALOX15 3842/4885

“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.

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