SCHEMBL642305

SCHEMBL642305

NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
CCKBR P32239 10/20 0.55
CCKAR P32238 5/20 0.54
HDAC1 Q13547 1/20 0.54
CHRM1 P11229 1/20 0.54
GABRA1 P14867 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50

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
SCHEMBL4700911 1.00 MEN1 (0.58) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL644829 1.00 MEN1 (0.58) MEN1ALDH1A1KMT2ACCKBRCCKAR
Bromide SCHEMBL8422518 0.98 MEN1 (0.56) MEN1ALDH1A1KMT2ACCKBRCCKAR
Bromide SCHEMBL8422516 0.97 MEN1 (0.55) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL8218620 0.89 CCKBR (0.60) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL2526769 0.88 CCKBR (0.56) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL18315499 0.88 MEN1 (0.50) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL15629440 0.88 MEN1 (0.50) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL19988836 0.88 GABRA1 (0.51) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL6005722 0.85 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ACCKBRCCKAR

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 297 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10406166-B2 Antimicrobial compound THE UNIVERSITY OF DURHAM (GB) 2019-09-10 US claimed
US-20180085378-A1 Antimicrobial Compound THE UNIVERSITY OF DURHAM (GB) 2018-03-29 US claimed
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US claimed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US claimed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed
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 claimed
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-06-12 US claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US claimed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US claimed
JP-2006503054-A 2006-01-26 JP claimed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 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) 2004-11-18 WO claimed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10406166-B2 Antimicrobial compound FPR1, MPO, NISCH MEN1 1193/4885ALDH1A1 901/4885KMT2A 4568/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 MEN1 1010/4885ALDH1A1 3054/4885KMT2A 3940/4885
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 MEN1 4008/4885ALDH1A1 2127/4885KMT2A 2528/4885
US-20180085378-A1 Antimicrobial Compound FPR1, MPO, CFTR MEN1 1132/4885ALDH1A1 881/4885KMT2A 4550/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 MEN1 3084/4885ALDH1A1 1301/4885KMT2A 1471/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 MEN1 3949/4885ALDH1A1 1931/4885KMT2A 2520/4885
US-20080139536-A1 Benzodiazepines for Treating or Preventing Rsv Infection CNR1, CBR1, CBR3 MEN1 4056/4885ALDH1A1 1328/4885KMT2A 1496/4885

“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.