SCHEMBL20742976

SCHEMBL20742976

CC1Nc2ccc(C(=O)O)cc2NC(=O)C1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PABPC1 P11940 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
THRB P10828 2/20 0.41
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL29893035 0.84 MEN1 (0.64) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL27077382 0.84 MEN1 (0.64) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5176190 0.78 GAA (0.66) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL30428203 0.77 GAA (0.55) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL29026155 0.77 GAA (0.55) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL20742910 0.75 GAA (0.52) MEN1KMT2AGAATHRB
SCHEMBL22142890 0.75 GAA (0.52) MEN1KMT2AGAATHRB
SCHEMBL17285619 0.75 POLB (0.47) POLBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL20655220 0.75 CREBBP (0.58) POLBSMN1; SMN2MEN1KMT2AHTT
SCHEMBL22143056 0.74 SMYD3 (0.53) MEN1KMT2AGAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161825-B2 4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxamides BAYER AKTIENGESELLSCHAFT (DE) 2021-11-02 US disclosed
US-20200199083-A1 4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 US disclosed
EP-3668844-A1 4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-CARBOXAMIDES Bayer Aktiengesellschaft (DE) 2020-06-24 EP disclosed
WO-2019034532-A1 4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-02-21 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-20200199083-A1 4-OXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-7-CARBOXAMIDES GABRA5, GABBR2, GABBR1 POLB 1360/4885SMN1; SMN2 2249/4885MEN1 1451/4885
US-11161825-B2 4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxamides GABRA5, GABBR2, GABBR1 POLB 1360/4885SMN1; SMN2 2249/4885MEN1 1451/4885

“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.