SCHEMBL21025331

SCHEMBL21025331

CC(C)(C)Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 4/20 0.44
PARP1 P09874 3/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PARG Q86W56 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SIRT6 Q8N6T7 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE3A Q14432 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NAPEPLD Q6IQ20 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
SCHEMBL22862767 0.84 PARP1 (0.48) KDM4EPARP1ALDH1A1HPGDHSD17B10
SCHEMBL7033620 0.82 CA12 (0.47) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL2056368 0.81 ALDH1A1 (0.50) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL861749 0.81 PARP1 (0.59) KDM4EPARP1ALDH1A1HSD17B10MEN1
SCHEMBL26171264 0.81 KDM4E (0.48) KDM4EPARP1ALDH1A1HPGDHSD17B10
SCHEMBL20942693 0.78 GAA (0.66) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL7028337 0.78 CA12 (0.50) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL7034143 0.78 CA12 (0.50) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL7028562 0.75 CA12 (0.47) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL23786255 0.75 MEN1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 CA12 3847/4885CA9 2317/4885KDM4E 1342/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 CA12 3847/4885CA9 2317/4885KDM4E 1342/4885

“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.