SCHEMBL2291633

SCHEMBL2291633

CCNC[C@@H](O)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.69
LMNA P02545 2/20 0.69
GALR3 O60755 1/20 0.69
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL27711232 1.00 HIF1A (0.69) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL2293713 1.00 HIF1A (0.69) HIF1ALMNAGALR3KDM4EL3MBTL1
Benzene SCHEMBL27711278 0.98 HIF1A (0.67) HIF1ALMNAGALR3KDM4EL3MBTL1
Benzene SCHEMBL27711271 0.98 HIF1A (0.67) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL5848447 0.87 HIF1A (0.53) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL12186386 0.85 HIF1A (0.50) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL30956726 0.84 HIF1A (0.50) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL20819603 0.84 HIF1A (0.50) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL30956698 0.84 HIF1A (0.50) HIF1ALMNAGALR3KDM4EL3MBTL1
SCHEMBL10875706 0.84 HIF1A (0.50) HIF1ALMNAGALR3KDM4EL3MBTL1

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 HIF1A 3653/4885LMNA 3268/4885GALR3 4029/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HIF1A 3653/4885LMNA 3268/4885GALR3 4029/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 HIF1A 3653/4885LMNA 3268/4885GALR3 4029/4885

“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.