SCHEMBL18041432

SCHEMBL18041432

Cc1cc(CNC(=O)OC(C)(C)C)cc(N=C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.44
▸ KDM4A O75164 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ BAZ2A Q9UIF9 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GLS O94925 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR1H2 P55055 1/20 0.37

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
SCHEMBL22702218 0.78 KDM4A (0.47) HDAC1KDM4ANAMPTCA1CYP2D6
SCHEMBL16020324 0.75 GRM2 (0.43) HDAC1KDM4ANAMPTCYP2D6GLS
SCHEMBL18057687 0.75 CYP3A4 (0.41) NAMPTCA1IDO1CTSKNR1H2
SCHEMBL3838871 0.74 CA12 (0.63) HDAC1KDM4ANAMPTCA12CA1
SCHEMBL8279661 0.73 POLB (0.53) KDM4ANAMPTCA12CA1CA7
SCHEMBL16405266 0.73 SLC7A5 (0.49) HDAC1KDM4ANAMPTGLSL3MBTL1
SCHEMBL31143012 0.72 KDM4A (0.42) HDAC1KDM4ABRD9BAZ2BBAZ2A
SCHEMBL18041414 0.72 KDM4A (0.42) HDAC1KDM4ABRD9BAZ2BBAZ2A
SCHEMBL12133585 0.72 HDAC1 (0.58) HDAC1KDM4ANAMPTCA12CA1
SCHEMBL18041420 0.72 KDM4A (0.42) HDAC1KDM4ANAMPTCA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107295798-B Benzazepine dicarboxamide compound 豪夫迈·罗氏有限公司 2020-10-30 — — CN disclosed
EP-3265458-B1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-12-19 — — EP disclosed
EP-3265458-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-01-10 — — EP disclosed
US-9822065-B1 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-11-21 — — US disclosed
US-9822065-B1 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-11-21 — — US disclosed
US-9597333-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-03-21 — — US disclosed
US-9597333-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-03-21 — — US disclosed
US-20170014423-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-19 — — US disclosed
US-20170014423-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-19 — — US disclosed
US-9475775-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2016-10-25 — — US disclosed
US-9475775-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2016-10-25 — — US disclosed
WO-2016142250-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-15 — — WO disclosed
WO-2016142250-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-15 — — WO disclosed
US-20160257653-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2016-09-08 — — US disclosed
US-20160257653-A1 Benzazepine Dicarboxamide Compounds HOFFMANN-LA ROCHE INC. (US) 2016-09-08 — — 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-20170014423-A1 Benzazepine Dicarboxamide Compounds TLR1, TLR4, TLR5 HDAC1 179/4885KDM4A 353/4885BRD9 367/4885
US-20160257653-A1 Benzazepine Dicarboxamide Compounds TLR1, TLR4, TLR5 HDAC1 179/4885KDM4A 353/4885BRD9 367/4885

“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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