SCHEMBL7547221

SCHEMBL7547221

CC(=O)c1cccc(N(C)C)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
TSHR P16473 3/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
G6PD P11413 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
MAPK1 P28482 2/20 0.38
NSD2 O96028 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 2/20 0.37
CHEK1 O14757 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 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
SCHEMBL7778033 0.85 G6PD (0.60) GAATSHRMAPTALDH1A1TP53
SCHEMBL3498784 0.81 G6PD (0.46) GAATSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL6733366 0.80 ALDH1A1 (0.53) GAATSHRMAPTALDH1A1TP53
SCHEMBL4213821 0.79 ALDH1A1 (0.72) GAATSHRMAPTALDH1A1TP53
SCHEMBL14458138 0.78 GAA (0.56) GAATSHRMAPTALDH1A1TP53
SCHEMBL120305 0.78 G6PD (0.67) GAATSHRMAPTALDH1A1TP53
SCHEMBL8291059 0.78 TP53 (0.42) GAATSHRMAPTALDH1A1TP53
SCHEMBL13486817 0.77 GAA (0.69) GAATSHRMAPTALDH1A1TP53
SCHEMBL9754424 0.76 GAA (0.52) GAATSHRMAPTALDH1A1TP53
SCHEMBL27956714 0.76 G6PD (0.64) GAATSHRMAPTALDH1A1TP53

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 GAA 4326/4885TSHR 430/4885MAPT 4445/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 GAA 4326/4885TSHR 430/4885MAPT 4445/4885

“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.