SCHEMBL4704851

SCHEMBL4704851

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.56
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KEAP1 Q14145 6/20 0.46
▸ NFE2L2 Q16236 6/20 0.46
▸ BCHE P06276 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MCL1 Q07820 1/20 0.43

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
SCHEMBL4704854 1.00 ESR1 (0.56) ESR1MAPTALDH1A1HPGDKEAP1
SCHEMBL4699717 0.92 ALDH1A1 (0.50) ESR1MAPTALDH1A1HPGDKEAP1
SCHEMBL4699713 0.92 ALDH1A1 (0.50) ESR1MAPTALDH1A1HPGDKEAP1
SCHEMBL4702684 0.90 BMP1 (0.48) ESR1MAPTALDH1A1HPGDKEAP1
SCHEMBL4702685 0.90 BMP1 (0.48) ESR1MAPTALDH1A1HPGDKEAP1
SCHEMBL7364803 0.88 ALDH1A1 (0.47) ESR1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7364808 0.88 ALDH1A1 (0.47) ESR1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1884748 0.88 ALDH1A1 (0.53) ESR1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1884750 0.88 ALDH1A1 (0.53) ESR1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5531936 0.87 MAPT (0.56) MAPTALDH1A1HPGDKEAP1SMN1; SMN2

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 ESR1 862/4885MAPT 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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