SCHEMBL2296789

SCHEMBL2296789

CN1C[C@@H](c2ccc(Br)cc2)OCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.55
MDM2 Q00987 1/20 0.54
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRD5A1 P18405 1/20 0.36
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2293215 1.00 BRD4 (0.55) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL4632326 0.89 BRD4 (0.46) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2298212 0.84 CYP2D6 (0.43) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2294131 0.84 SRD5A1 (0.53) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2385068 0.84 CYP19A1 (0.44) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2293850 0.84 SRD5A1 (0.53) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2297395 0.84 CYP2D6 (0.43) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL25649058 0.83 CYP2D6 (0.55) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2297295 0.80 MDM2 (0.47) BRD4MDM2CYP3A4CYP2D6SLC6A2
SCHEMBL2292000 0.80 MDM2 (0.47) BRD4MDM2CYP3A4CYP2D6SLC6A2

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-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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

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 BRD4 950/4885MDM2 1186/4885CYP3A4 672/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BRD4 950/4885MDM2 1186/4885CYP3A4 672/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BRD4 950/4885MDM2 1186/4885CYP3A4 672/4885

“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.