SCHEMBL4921740

SCHEMBL4921740

CCOC(=O)c1cc2nc[nH]c2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
KMT2A Q03164 1/20 0.51
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NUDT1 P36639 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 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
Hydrochloric Acid SCHEMBL4907975 0.99 ATM (0.50) ATMKMT2ACYP4F2CYP4A11BAZ2B
SCHEMBL10337048 0.94 ATM (0.51) ATMKMT2ACYP4F2CYP4A11BAZ2B
SCHEMBL4916674 0.77 MAPT (0.50) CA1CA2CA12CA9KDM4E
SCHEMBL14020399 0.74 GABRA1 (0.53) ATMKMT2AKDM4EPOLBCASP3
SCHEMBL1965008 0.74 KMT2A (0.53) ATMKMT2ACA1CA2CA12
SCHEMBL10070177 0.74 GABRA1 (0.50) ATMKMT2AKDM4EPOLBCASP3
SCHEMBL1965011 0.74 KMT2A (0.65) ATMKMT2ACA1CA2CA12
SCHEMBL30447626 0.74 KMT2A (0.65) ATMKMT2ACA1CA2CA12
SCHEMBL14465575 0.73 ALOX15 (0.50) KMT2ACYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL24558232 0.73 KDM4E (0.42) ATMKMT2AKDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-4917997-A MIXED WITH ASCORBIC ACID COMPONENT, SENSITIZING DYE, BISAMINOSTILBENE WITH PYRIMIDINE SUBSTITUTION FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ATM 4192/4885KMT2A 4734/4885CYP4F2 156/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B ATM 2964/4885KMT2A 4585/4885CYP4F2 542/4885

“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.