SCHEMBL4037441

SCHEMBL4037441

Cc1nn2c(Br)cccc2c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 3/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL1842582 0.84 PKM (0.45) L3MBTL1ALDH1A1TDP1PKMLMNA
SCHEMBL1942265 0.81 ALDH1A1 (0.35) L3MBTL1ALDH1A1TDP1LMNATSHR
SCHEMBL4033098 0.77 ALDH1A1 (0.33) L3MBTL1ALDH1A1TDP1PKMLMNA
SCHEMBL4032511 0.71 SMN1; SMN2 (0.37) L3MBTL1ALDH1A1LMNATSHRMAPT
SCHEMBL5849034 0.71 MAPT (0.42) L3MBTL1ALDH1A1TDP1PKMLMNA
SCHEMBL5849016 0.71 HSD11B1 (0.45) L3MBTL1ALDH1A1LMNATSHRMAPT
SCHEMBL13791534 0.68 PKM (0.52) L3MBTL1ALDH1A1TDP1PKMLMNA
SCHEMBL1845472 0.67 TDP1 (0.40) L3MBTL1ALDH1A1TDP1PKMLMNA
SCHEMBL1840183 0.67 ALDH1A1 (0.40) L3MBTL1ALDH1A1TDP1PKMLMNA
SCHEMBL1840299 0.66 TDP1 (0.39) L3MBTL1ALDH1A1TDP1PKMTSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds EISAI CO.LTD. (JP) 2006-10-19 US disclosed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 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-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH L3MBTL1 3124/4885ALDH1A1 2616/4885TDP1 2246/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 L3MBTL1 3153/4885ALDH1A1 3348/4885TDP1 2552/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 L3MBTL1 3260/4885ALDH1A1 3334/4885TDP1 2611/4885

“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.