SCHEMBL21025554

SCHEMBL21025554

CC(C)(C)c1ccc2c(=O)n(CC(N)=O)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ BTK Q06187 5/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ USP19 O94966 1/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MAPT P10636 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
SCHEMBL21025176 0.84 GRIN2B (0.40) ITGB3ITGA2BKDM4ENLRP3MAPT
SCHEMBL21025153 0.84 KDM4E (0.47) KDM4EKMT2ANLRP3ALDH1A1PSMB1
SCHEMBL21025694 0.82 KDM4E (0.51) KDM4EKMT2AALDH1A1PSMB1PSMB5
SCHEMBL20808748 0.82 LMNA (0.46) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL21025538 0.81 GRM2 (0.40) KDM4EKMT2AUSP19MAPT
SCHEMBL24248436 0.79 ITGB3 (0.45) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL20808938 0.79 PSMB1 (0.48) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL28061868 0.76 METAP2 (0.44) KMT2A
SCHEMBL1687421 0.75 KDM4E (0.57) KDM4EKMT2ANLRP3ALDH1A1PSMB1
SCHEMBL21025688 0.75 NR1I2 (0.39) ALDH1A1

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 ITGB3 3015/4885ITGA2B 3930/4885KDM4E 1342/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 ITGB3 3015/4885ITGA2B 3930/4885KDM4E 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.

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