SCHEMBL1264005

SCHEMBL1264005

COP(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
CA4 P22748 2/20 0.38
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
LTA4H P09960 2/20 0.33
PDE4B Q07343 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 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
SCHEMBL11423935 0.73 CYP3A4 (0.36) TDP1CYP3A4ESR1ESR2LTA4H
SCHEMBL187947 0.72 CYP3A4 (0.45) TDP1CYP3A4CA4ESR1ESR2
SCHEMBL196040 0.72 CYP3A4 (0.45) TDP1CYP3A4CA4ESR1ESR2
SCHEMBL3035643 0.72 LTA4H (0.39) TDP1CYP3A4CA4ESR1ESR2
SCHEMBL11652891 0.72 CYP3A4 (0.35) TDP1CYP3A4ESR1ESR2LTA4H
SCHEMBL2153928 0.71
Hydrochloric Acid SCHEMBL28639460 0.70 CYP3A4 (0.43) TDP1CYP3A4CA4ESR1ESR2
Hydrochloric Acid SCHEMBL28963009 0.70 CYP3A4 (0.43) TDP1CYP3A4CA4ESR1ESR2
SCHEMBL29212555 0.70 CYP3A4 (0.43) TDP1CYP3A4CA4ESR1ESR2
SCHEMBL2378857 0.70 CYP3A4 (0.43) TDP1CYP3A4CA4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
US-7704990-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-27 US claimed
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US claimed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US claimed
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-08-31 US claimed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
US-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 US disclosed
EP-2311464-A1 Agents for preventing and treating disorders involving modulation of the ryr receptors The Trustees of Columbia University in the City of New York (US) 2011-04-20 EP disclosed
US-7879840-B2 Ryanodine receptors (RyRs) modulators comprising 1,4-benzothiazepine derivatives, that regulate calcium channel functioning in cells, used for the treatment of cardiovascular disorders and muscular disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-01 US disclosed
US-7704990-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-27 US disclosed
EP-2177224-A2 Agents for preventing and treating disorders involving modulation of the RyR receptors The Trustees of Columbia University in the City of New York (US) 2010-04-21 EP disclosed
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US disclosed
EP-1928850-A4 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS UNIV COLUMBIA (US) 2009-06-17 EP disclosed
EP-1928850-A2 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS The Trustees of Columbia University in the City of New York (US) 2008-06-11 EP disclosed
US-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-26 US disclosed
WO-2007024717-A2 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 WO disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US disclosed
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-08-31 US disclosed
US-4168267-A Phosphinylalkanoyl prolines E. R. SQUIBB & SONS, INC. (US) 1979-09-18 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 (4 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-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors RYR1, RYR2, ATP2A1 TDP1 895/4885CYP3A4 1204/4885CA4 434/4885
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 TDP1 770/4885CYP3A4 619/4885CA4 166/4885
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 TDP1 770/4885CYP3A4 619/4885CA4 166/4885
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 TDP1 2477/4885CYP3A4 72/4885CA4 1823/4885

“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.