SCHEMBL2293489

SCHEMBL2293489

O=C(CBr)N(Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MC4R P32245 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
HTR2A P28223 1/20 0.42
MMP2 P08253 1/20 0.41
CTSB P07858 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL2294878 1.00 CRHBP (0.55) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL2295641 0.88 CRHBP (0.55) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL2293196 0.88 CRHBP (0.55) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL27711174 0.88 CRHBP (0.55) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2
SCHEMBL2296468 0.84 MEN1 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2294583 0.84 MEN1 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2294819 0.83 KDM4E (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2296266 0.83 KDM4E (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2293181 0.79 ALOX5 (0.49) L3MBTL1MMP2
SCHEMBL2300097 0.79 ALOX5 (0.49) L3MBTL1MMP2

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 CRHBP 3599/4885CRHR2 3747/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CRHBP 3599/4885CRHR2 3747/4885ALDH1A1 1251/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CRHBP 3599/4885CRHR2 3747/4885ALDH1A1 1251/4885

“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.