SCHEMBL5013388

SCHEMBL5013388

O=C(Cl)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DYRK1A Q13627 1/20 0.33
▸ HCAR2 Q8TDS4 3/20 0.32
▸ DAO P14920 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ CYTH3 O43739 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ EPN1 Q9Y6I3 1/20 0.30

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
SCHEMBL26820 0.83 HPGD (0.54) HPGDHCAR2DAOCYTH3BTK
Hydrochloric Acid SCHEMBL27727584 0.81 HPGD (0.52) HPGDHCAR2DAOCYTH3BTK
SCHEMBL5969919 0.81 HPGD (0.52) HPGDALDH1A1DYRK1AHCAR2DAO
SCHEMBL42514 0.81 HPGD (0.52) HPGDALDH1A1TSHRDYRK1AHCAR2
SCHEMBL17928435 0.78 HPGD (0.49) HPGDDYRK1AHCAR2DAOLMNA
SCHEMBL6305513 0.77 HPGD (0.49) HPGDALDH1A1DYRK1AHCAR2DAO
SCHEMBL25449 0.77 MAPK1 (0.57) HPGDDYRK1AHCAR2SMN1; SMN2MAPT
SCHEMBL14620257 0.77 HPGD (0.49) HPGDALDH1A1DYRK1AHCAR2DAO
SCHEMBL18680106 0.77 HPGD (0.49) HPGDALDH1A1DYRK1AHCAR2DAO
SCHEMBL14688254 0.74 HPGD (0.46) HPGDALDH1A1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 — — US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 — — US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 — — US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 — — US disclosed
CN-101208306-A Pyrazole compounds and diabetes therapeutic agent containing the same JAPAN TOBACCO INC (JP) 2008-06-25 — — CN disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — 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-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 HPGD 343/4885ALDH1A1 170/4885TSHR 3139/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 HPGD 675/4885ALDH1A1 775/4885TSHR 3602/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL HPGD 3765/4885ALDH1A1 1278/4885TSHR 1758/4885

“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.

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