SCHEMBL21025694

SCHEMBL21025694

CCNC(=O)Cn1ccc2cc(C(C)(C)C)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ KMT2A Q03164 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PSMB1 P20618 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL21025153 0.88 KDM4E (0.47) KDM4EKMT2ARXFP1TDP1MEN1
SCHEMBL20808718 0.84 LMNA (0.55) KDM4EKMT2ARXFP1TDP1MEN1
SCHEMBL20786895 0.82 PSMB1 (0.61) KDM4EKMT2ARXFP1TDP1MEN1
SCHEMBL21025554 0.82 ITGB3 (0.42) KDM4EKMT2APSMB1PSMB5ALDH1A1
SCHEMBL21025538 0.80 GRM2 (0.40) KDM4EKMT2AMEN1MAPTRAB9A
SCHEMBL21025176 0.80 GRIN2B (0.40) KDM4EMAPT
SCHEMBL28061868 0.72 METAP2 (0.44) KMT2AMEN1
SCHEMBL21025688 0.71 NR1I2 (0.39) ALDH1A1RAB9A
SCHEMBL20808984 0.70 LMNA (0.52) KDM4EKMT2ARXFP1TDP1MEN1
SCHEMBL21025559 0.70 GRM2 (0.40) KMT2AMEN1MAPTPOLBRAB9A

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 KDM4E 1342/4885KMT2A 751/4885RXFP1 739/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 KDM4E 1342/4885KMT2A 751/4885RXFP1 739/4885

“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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