SCHEMBL2296900

SCHEMBL2296900

C[C@@H](c1ccccc1)N1C[C@@H](c2ccc(Br)cc2)OCC1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 11/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRD4 O60885 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL2294941 1.00 MDM2 (0.47) MDM2KMT2AMAPK1HSD11B1CYP3A4
SCHEMBL917086 1.00 MDM2 (0.47) MDM2KMT2AMAPK1HSD11B1CYP3A4
SCHEMBL2294266 1.00 MDM2 (0.47) MDM2KMT2AMAPK1HSD11B1CYP3A4
SCHEMBL2117117 0.90 MDM2 (0.45) MDM2KMT2AHSD11B1
SCHEMBL8069310 0.88 KMT2A (0.46) MDM2KMT2AMAPK1HSD11B1CYP3A4
SCHEMBL2297334 0.88 KMT2A (0.46) MDM2KMT2AMAPK1HSD11B1
SCHEMBL2295888 0.88 KMT2A (0.46) KMT2AMAPK1HSD11B1
SCHEMBL2295538 0.88 KMT2A (0.46) KMT2AMAPK1HSD11B1
SCHEMBL2298680 0.88 KMT2A (0.46) MDM2KMT2AMAPK1HSD11B1
SCHEMBL2295755 0.88 KMT2A (0.46) KMT2AMAPK1HSD11B1

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 6 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
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 MDM2 1186/4885KMT2A 1798/4885MAPK1 28/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MDM2 1186/4885KMT2A 1798/4885MAPK1 28/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MDM2 1186/4885KMT2A 1798/4885MAPK1 28/4885

“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.