SCHEMBL5269467

SCHEMBL5269467

N#CCCCOc1cccc(-c2coc3cc(O)c(Cl)cc3c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ ALDH2 P05091 16/20 0.44
▸ MAOA P21397 9/20 0.44
▸ MAOB P27338 9/20 0.44
▸ EGFR P00533 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5267899 0.97 ALDH2 (0.46) PPARGPPARDPPARAALDH2MAOA
SCHEMBL5270960 0.89 ALDH2 (0.52) ALDH2MAOAMAOB
SCHEMBL5271921 0.86 ALDH2 (0.53) ALDH2MAOAMAOB
SCHEMBL5267794 0.86 ALDH2 (0.50) PPARGPPARDPPARAALDH2MAOA
SCHEMBL5273069 0.85 PTPN1 (0.48) PPARGALDH2MAOAMAOBMAPT
SCHEMBL5272290 0.83 ALDH1A1 (0.43) PPARGALDH2MAOAMAOBMEN1
SCHEMBL5271894 0.80 PPARG (0.69) PPARGPPARDPPARAMAOAMAOB
SCHEMBL5270380 0.79 ALDH2 (0.59) PPARGPPARDPPARAALDH2MAOA
SCHEMBL4175173 0.75 ALDH1A1 (0.63) PPARGPPARDPPARAALDH2MAOA
SCHEMBL14396312 0.74 ABCB1 (0.61) PPARGPPARDPPARAEGFRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 — — US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 — — EP disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 — — 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-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P PPARG 1438/4885PPARD 2510/4885PPARA 2270/4885

“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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