SCHEMBL4702685

SCHEMBL4702685

CCCCN(c1cccc(C(=O)C=CN(C)C)c1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KEAP1 Q14145 7/20 0.46
▸ NFE2L2 Q16236 7/20 0.46
▸ CAMK2A Q9UQM7 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ CAMK2G Q13555 1/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ P4HB P07237 1/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL4702684 1.00 BMP1 (0.48) BMP1MAPTALDH1A1HPGDKEAP1
SCHEMBL4699713 0.94 ALDH1A1 (0.50) BMP1MAPTALDH1A1HPGDKEAP1
SCHEMBL4699717 0.94 ALDH1A1 (0.50) BMP1MAPTALDH1A1HPGDKEAP1
SCHEMBL4704851 0.90 ESR1 (0.56) MAPTALDH1A1HPGDKEAP1NFE2L2
SCHEMBL4704854 0.90 ESR1 (0.56) MAPTALDH1A1HPGDKEAP1NFE2L2
SCHEMBL4704761 0.89 ESR1 (0.53) MAPTALDH1A1HPGDL3MBTL1ESR1
SCHEMBL4704762 0.89 ESR1 (0.53) MAPTALDH1A1HPGDL3MBTL1ESR1
SCHEMBL5531935 0.84 MAPT (0.56) MAPTALDH1A1HPGDKEAP1LMNA
SCHEMBL5531936 0.84 MAPT (0.56) MAPTALDH1A1HPGDKEAP1LMNA
SCHEMBL1877679 0.83 MAPT (0.50) MAPTALDH1A1HPGDESR1P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 — — EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 — — US disclosed
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 — — EP disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 — — WO 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 (1 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 BMP1 3165/4885MAPT 2772/4885ALDH1A1 113/4885

“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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