SCHEMBL4699713

SCHEMBL4699713

CCCN(c1cccc(C(=O)/C=C/N(C)C)c1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ESR1 P03372 2/20 0.47
▸ BMP1 P13497 1/20 0.45
▸ KEAP1 Q14145 7/20 0.44
▸ NFE2L2 Q16236 7/20 0.44
▸ CAMK2A Q9UQM7 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CAMK2G Q13555 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ TAS2R14 Q9NYV8 1/20 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
SCHEMBL4699717 1.00 ALDH1A1 (0.50) ALDH1A1MAPTHPGDESR1BMP1
SCHEMBL4702684 0.94 BMP1 (0.48) ALDH1A1MAPTHPGDESR1BMP1
SCHEMBL4702685 0.94 BMP1 (0.48) ALDH1A1MAPTHPGDESR1BMP1
SCHEMBL4704851 0.92 ESR1 (0.56) ALDH1A1MAPTHPGDESR1KEAP1
SCHEMBL4704854 0.92 ESR1 (0.56) ALDH1A1MAPTHPGDESR1KEAP1
SCHEMBL4702500 0.89 ALDH1A1 (0.51) ALDH1A1MAPTHPGDESR1HTT
SCHEMBL4702502 0.89 ALDH1A1 (0.51) ALDH1A1MAPTHPGDESR1HTT
SCHEMBL5531936 0.85 MAPT (0.56) ALDH1A1MAPTHPGDKEAP1HTT
SCHEMBL5531935 0.85 MAPT (0.56) ALDH1A1MAPTHPGDKEAP1HTT
SCHEMBL1883915 0.83 MAPT (0.52) ALDH1A1MAPTHPGDHTTGAA

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 2 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

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 ALDH1A1 113/4885MAPT 2772/4885HPGD 707/4885

“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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