SCHEMBL4959484

SCHEMBL4959484

CN(C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TP53 P04637 1/20 0.53
ALDH1A1 P00352 7/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
TSHR P16473 5/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HTT P42858 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL15155882 1.00 ATM (0.55) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL12550512 0.88 ALDH1A1 (0.54) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL2017690 0.87 ALDH1A1 (0.56) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL13698360 0.84 ATM (0.73) ATMTP53ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL5827832 0.84 ALDH1A1 (0.50) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL3219108 0.83 MAPK1 (0.49) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL3219663 0.83 SIGMAR1 (0.49) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL8877711 0.81 ALDH1A1 (0.55) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL14267707 0.81 SIGMAR1 (0.48) ATMTP53ALDH1A1MAPTMEN1
SCHEMBL13698363 0.81 ATM (0.54) ATMTP53ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879858-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF Vertex Pharmaceuticals, Inc. (US) 2008-01-23 EP claimed
WO-2006122072-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 WO claimed
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2023-02-23 US disclosed
EP-3331865-B1 SYNTHESIS OF BENZODIAZEPINE DERIVATIVES TRIO MEDICINES LTD (GB) 2021-05-12 EP disclosed
US-10906884-B2 Benzodiazepine derivatives as CCK2/gastrin receptor antagonists TRIO MEDICINES LTD (GB) 2021-02-02 US disclosed
US-20200223807-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2020-07-16 US disclosed
US-10570102-B2 Synthesis of benzodiazepine derivatives TRIO MEDICINES LIMITED (GB) 2020-02-25 US disclosed
EP-3180326-B1 BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS TRIO MEDICINES LTD (GB) 2019-10-23 EP disclosed
US-20190233391-A1 Benzodiazepine Derivatives As CCK2/Gastrin Receptor Antagonists TRIO MEDICINES LTD (GB) 2019-08-01 US disclosed
US-10308627-B2 Benzodiazepine derivatives as CCK2/gastrin receptor antagonists TRIO MEDICINES LTD (GB) 2019-06-04 US disclosed
US-20180237400-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2018-08-23 US disclosed
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US disclosed
EP-2809672-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2014-12-10 EP disclosed
WO-2014100748-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 WO disclosed
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-26 US disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
WO-2013116382-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-08-08 WO disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
EP-1879858-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF Vertex Pharmaceuticals, Inc. (US) 2008-01-23 EP disclosed
WO-2006122072-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 WO 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 (9 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-20190233391-A1 Benzodiazepine Derivatives As CCK2/Gastrin Receptor Antagonists CCKBR, CCKAR, GRPR ATM 3155/4885TP53 4475/4885ALDH1A1 2614/4885
US-20200223807-A1 Synthesis Of Benzodiazepine Derivatives GABRA1, GABRA5, GABRE ATM 3852/4885TP53 4883/4885ALDH1A1 590/4885
US-10906884-B2 Benzodiazepine derivatives as CCK2/gastrin receptor antagonists CCKBR, CCKAR, GRPR ATM 3155/4885TP53 4475/4885ALDH1A1 2614/4885
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ATM 4494/4885TP53 1214/4885ALDH1A1 684/4885
US-10308627-B2 Benzodiazepine derivatives as CCK2/gastrin receptor antagonists CCKBR, CCKAR, GRPR ATM 3155/4885TP53 4475/4885ALDH1A1 2614/4885
US-20180237400-A1 Synthesis Of Benzodiazepine Derivatives GABRE, GABRA1, GABRA5 ATM 3802/4885TP53 4881/4885ALDH1A1 644/4885
US-10570102-B2 Synthesis of benzodiazepine derivatives GABRE, GABRA1, GABRA5 ATM 3802/4885TP53 4881/4885ALDH1A1 644/4885
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives GABRE, GABRA1, GABRA5 ATM 3802/4885TP53 4881/4885ALDH1A1 644/4885
US-20140179720-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ATM 4494/4885TP53 1214/4885ALDH1A1 684/4885

“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.