SCHEMBL2298192

SCHEMBL2298192

CNC[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
HIF1A Q16665 5/20 0.68
BLM P54132 4/20 0.68
ALDH1A1 P00352 2/20 0.68
HTR1A P08908 2/20 0.68
THPO P40225 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NMUR2 Q9GZQ4 1/20 0.68
CYP2C9 P11712 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
SLC6A2 P23975 5/20 0.57
SLC6A4 P31645 4/20 0.57
SLC6A3 Q01959 2/20 0.57
ADRB2 P07550 4/20 0.56
MAPT P10636 3/20 0.56
ADRB1 P08588 3/20 0.56
ADRA2A P08913 3/20 0.56
ADRB3 P13945 3/20 0.56
ADRA2B P18089 3/20 0.56

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
SCHEMBL2295214 1.00 KDM4E (0.68) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL3704375 1.00 KDM4E (0.68) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL146500 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL5847942 0.81 KDM4E (0.70) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL17726874 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL12101294 0.81 KDM4E (0.70) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL2283013 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL28287981 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL22957651 0.80 GAA (0.56) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL19399097 0.80 GAA (0.56) KDM4ETDP1HIF1ABLMALDH1A1

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 11 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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN 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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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 KDM4E 842/4885TDP1 659/4885HIF1A 3653/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885TDP1 659/4885HIF1A 3653/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KDM4E 842/4885TDP1 659/4885HIF1A 3653/4885

“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.