SCHEMBL2295780

SCHEMBL2295780

O=C(CBr)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL16142399 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL28775914 0.84 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL23969591 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL29732735 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL29439840 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL8080593 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL3674674 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL28693655 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL2295846 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL28152334 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP1A2 761/4885CYP2C9 1988/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP1A2 761/4885CYP2C9 1988/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885CYP1A2 761/4885CYP2C9 1988/4885

“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.