SCHEMBL2065643

SCHEMBL2065643

O=C1OCCN1CCCBr

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PIK3CD O00329 1/20 0.38
NQO2 P16083 1/20 0.35
NAAA Q02083 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
GRM2 Q14416 1/20 0.33
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL10977821 0.92 KDM4E (0.47) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL17162612 0.88
SCHEMBL4035621 0.80 KDM4E (0.46) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL15111451 0.80 KDM4E (0.46) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL1031978 0.80 KDM4E (0.46) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL4573839 0.80 NAAA (0.49) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL16377754 0.80 KDM4E (0.46) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL31308 0.78 NAAA (0.51) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL10981200 0.78 KDM4E (0.45) KDM4EPIK3CDNQO2NAAAALDH1A1
SCHEMBL4860823 0.77 NAAA (0.54) KDM4EPIK3CDNAAAALDH1A1MAPT

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-3327017-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2019-04-24 EP disclosed
EP-3327017-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2019-04-24 EP disclosed
US-10183935-B2 Benzamide derivatives as modulators of the follicle stimulating hormone MERCK PATENT GMBH (DE) 2019-01-22 US disclosed
US-10183935-B2 Benzamide derivatives as modulators of the follicle stimulating hormone MERCK PATENT GMBH (DE) 2019-01-22 US disclosed
EP-3327017-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Merck Patent GmbH (DE) 2018-05-30 EP disclosed
EP-3327017-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Merck Patent GmbH (DE) 2018-05-30 EP disclosed
EP-2802575-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2017-12-27 EP disclosed
EP-2802575-B1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2017-12-27 EP disclosed
US-20170226096-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-20170226096-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
WO-2013106409-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2013-07-18 WO disclosed
US-8357524-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity DANISCO US INC. (US) 2013-01-22 US disclosed
US-20120295329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-11-22 US disclosed
US-20120156721-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 US disclosed
US-8148128-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-04-03 US disclosed
EP-1129180-B1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES UNIV TORONTO (CA) 2009-06-10 EP disclosed
US-20090075329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2009-03-19 US disclosed
US-20050282248-A1 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity JONES JOHN B 2005-12-22 US disclosed
EP-1129180-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2001-09-05 EP disclosed
WO-2000028007-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2000-05-18 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 (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-20170226096-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG KDM4E 1708/4885PIK3CD 2977/4885NQO2 980/4885
US-10183935-B2 Benzamide derivatives as modulators of the follicle stimulating hormone FSHR, GNRHR, SHBG KDM4E 1708/4885PIK3CD 2977/4885NQO2 980/4885

“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.