SCHEMBL2292479

SCHEMBL2292479

C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
APAF1 O14727 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ANPEP P15144 1/20 0.46
HTR1A P08908 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL28727682 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL2292061 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL2292475 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL28002060 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL2299495 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL2295250 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL2292066 1.00 MEN1 (0.62) MEN1KMT2ANPC1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL28719834 0.99 MEN1 (0.61) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL28402260 0.85 ADRB3 (0.51) MEN1KMT2ANPC1ALDH1A1NPSR1
Nifenalol SCHEMBL6510064 0.84 NPC1 (0.66) MEN1KMT2ANPC1ALDH1A1NPSR1

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 MEN1 1671/4885KMT2A 1798/4885NPC1 1685/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885NPC1 1685/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885NPC1 1685/4885

“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.