SCHEMBL3788080

SCHEMBL3788080

CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.78
SENP1 Q9P0U3 1/20 0.72
CCKBR P32239 8/20 0.70
KCNH2 Q12809 1/20 0.69
BRD4 O60885 2/20 0.67
BRD2 P25440 2/20 0.67
BRD3 Q15059 2/20 0.67
HDAC3 O15379 5/20 0.66
HDAC4 P56524 5/20 0.66
HDAC1 Q13547 5/20 0.66
HDAC7 Q8WUI4 5/20 0.66
HDAC2 Q92769 5/20 0.66
HDAC10 Q969S8 5/20 0.66
HDAC11 Q96DB2 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC6 Q9UBN7 5/20 0.66
HDAC9 Q9UKV0 5/20 0.66
HDAC5 Q9UQL6 5/20 0.66

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
SCHEMBL6993452 1.00 SCN9A (0.78) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL8241722 0.94 SCN9A (0.70) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL4420621 0.93 SCN9A (0.69) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL4697564 0.93 SCN9A (0.69) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL8241250 0.92 SCN9A (0.67) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL4701423 0.92 SCN9A (0.67) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL4416321 0.91 SCN9A (0.66) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL6096123 0.91 CCKBR (0.69) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL6098837 0.91 CCKBR (0.69) SCN9ASENP1CCKBRKCNH2BRD4
SCHEMBL8244051 0.90 BRD4 (0.71) SCN9ASENP1CCKBRKCNH2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231623-B1 5-PHENYL-1H-BENZO[E][1, 4]DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIV FIRENZE (IT) 2013-05-22 EP disclosed
US-8324202-B2 5-phenyl-1H-benzo [E] [1,4] diazepine compounds substituted with an hydroxamic acid group as histone deacetylase inhibitors UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2012-12-04 US disclosed
US-20100331316-A1 5-PHENYL-LH-BENZ0 [E] [1,4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS (IT) 2010-12-30 US disclosed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
US-4628084-A AMIDATION, AMMONIATION, CONDENSATION MERCK & CO., INC. (US) 1986-12-09 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 (3 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 SCN9A 1511/4885SENP1 3658/4885CCKBR 26/4885
US-20100331316-A1 5-PHENYL-LH-BENZ0 [E] [1,4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS HDAC10, HDAC1, HDAC5 SCN9A 2811/4885SENP1 3738/4885CCKBR 2021/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 SCN9A 1018/4885SENP1 3873/4885CCKBR 36/4885

“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.