SCHEMBL7548596

SCHEMBL7548596

Cc1cccc2c1NC(=O)C[N+]([O-])=C2c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
GAA P10253 3/20 0.34
IDO1 P14902 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CREBBP Q92793 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
BRD4 O60885 1/20 0.32
CRBN Q96SW2 1/20 0.32
AGTR1 P30556 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL7551382 0.85 NSD2 (0.40) DAOMAPTLMNACREBBPBRD4
SCHEMBL7548112 0.84 MEN1 (0.33) MAPTNPSR1CRBNALDH1A1
SCHEMBL11399009 0.72 GABRA1 (0.57) MAPTLMNAHTTNPC1RAB9A
SCHEMBL10675729 0.72 SMN1; SMN2 (0.39) MAPTLMNAHTTNPSR1NPC1
SCHEMBL21196628 0.65 DAO (0.57) DAOGAAIDO1MAPTPOLB
SCHEMBL7544940 0.64 CCKBR (0.41) DAO
SCHEMBL7544945 0.64 CCKBR (0.41) DAO
SCHEMBL15619572 0.64 TDP2 (0.46) DAOCREBBPPGR
SCHEMBL9292352 0.63 SCN9A (0.39)
SCHEMBL7310681 0.62 NPC1 (0.33) MAPTNPC1

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 3 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

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 DAO 2162/4885GAA 4326/4885IDO1 920/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 DAO 2162/4885GAA 4326/4885IDO1 920/4885

“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.