SCHEMBL2295601

SCHEMBL2295601

CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
HIF1A Q16665 2/20 0.58
BLM P54132 2/20 0.58
HTR1A P08908 1/20 0.58
THPO P40225 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NMUR2 Q9GZQ4 1/20 0.58
CYP2C9 P11712 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPSR1 Q6W5P4 2/20 0.54
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.49
ADRB2 P07550 2/20 0.49
RECQL P46063 2/20 0.49
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL6693064 1.00 NPC1 (0.69) NPC1ALDH1A1KDM4ETDP1HIF1A
SCHEMBL2294626 1.00 NPC1 (0.69) NPC1ALDH1A1KDM4ETDP1HIF1A
Hydrochloric Acid SCHEMBL9414007 0.97 NPC1 (0.66) NPC1ALDH1A1KDM4ETDP1HIF1A
SCHEMBL9414009 0.94 NPC1 (0.62) NPC1ALDH1A1KDM4ETDP1HIF1A
SCHEMBL10244237 0.83 NPC1 (0.66) NPC1ALDH1A1KDM4EHIF1ASMN1; SMN2
SCHEMBL2296310 0.83 NPC1 (0.66) NPC1ALDH1A1KDM4EHIF1ASMN1; SMN2
SCHEMBL2292604 0.83 NPC1 (0.66) NPC1ALDH1A1KDM4EHIF1ASMN1; SMN2
Nifenalol SCHEMBL6510064 0.83 NPC1 (0.66) NPC1ALDH1A1KDM4ETDP1HIF1A
Nifenalol SCHEMBL79725 0.83 NPC1 (0.66) NPC1ALDH1A1KDM4ETDP1HIF1A
SCHEMBL10617268 0.82 NPC1 (0.64) NPC1ALDH1A1KDM4EHIF1ACYP2C9

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 NPC1 1685/4885ALDH1A1 1251/4885KDM4E 842/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 NPC1 1685/4885ALDH1A1 1251/4885KDM4E 842/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 NPC1 1685/4885ALDH1A1 1251/4885KDM4E 842/4885

“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.