SCHEMBL2295880

SCHEMBL2295880

C[C@H](c1ccccc1)N1C[C@@H](c2cccc(F)c2)OCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
GFER P55789 1/20 0.39
GRM5 P41594 1/20 0.38
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SCD5 Q86SK9 1/20 0.36
LIPE Q05469 1/20 0.35
NR3C2 P08235 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR5 P51681 1/20 0.35
CYP19A1 P11511 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2294835 1.00 KMT2A (0.43) KMT2AGFERGRM5MAPK1LMNA
SCHEMBL2297037 1.00 KMT2A (0.43) KMT2AGFERGRM5MAPK1LMNA
SCHEMBL2300120 1.00 KMT2A (0.43) KMT2AGFERGRM5MAPK1LMNA
SCHEMBL2297025 0.87 KMT2A (0.46) KMT2AMAPK1
SCHEMBL2295755 0.87 KMT2A (0.46) KMT2AMAPK1
SCHEMBL2295538 0.87 KMT2A (0.46) KMT2AMAPK1
SCHEMBL2295888 0.87 KMT2A (0.46) KMT2AMAPK1
SCHEMBL2294266 0.80 MDM2 (0.47) KMT2AMAPK1CYP3A4
SCHEMBL2296900 0.80 MDM2 (0.47) KMT2AMAPK1CYP3A4
SCHEMBL8069310 0.80 KMT2A (0.46) KMT2AGRM5MAPK1SLC6A2SLC6A4

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 KMT2A 1798/4885GFER 4447/4885GRM5 1029/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885GFER 4447/4885GRM5 1029/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885GFER 4447/4885GRM5 1029/4885

“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.