SCHEMBL5145533

SCHEMBL5145533

CCCCCN1C(=O)C(=NNC(=O)Nc2ccccc2)c2cc(SCCc3ccc(C(=O)OCC)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ PTPN12 Q05209 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL5145524 1.00 MAPT (0.39) MAPTNAMPTMEN1KMT2ACYP1A2
SCHEMBL5114533 0.94 AGTR1 (0.37) ALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL5124424 0.94 AGTR1 (0.37) ALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL5118137 0.92 AGTR1 (0.39) MAPTALDH1A1LMNASMN1; SMN2ITGB3
SCHEMBL5118132 0.92 AGTR1 (0.39) MAPTALDH1A1LMNASMN1; SMN2ITGB3
SCHEMBL5110558 0.92 PARK7 (0.40) ITGB3ITGAVTRPV1
SCHEMBL5110405 0.92 PARK7 (0.40) ITGB3ITGAVTRPV1
SCHEMBL5110403 0.92 PARK7 (0.40) ITGB3ITGAVTRPV1
SCHEMBL5124438 0.91 PARK7 (0.39) ITGB3ITGAVTRPV1
SCHEMBL5124417 0.91 PARK7 (0.39) ITGB3ITGAVTRPV1

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
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 — — US claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 — — US disclosed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 — — EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 — — 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA MAPT 3986/4885NAMPT 1355/4885MEN1 4750/4885

“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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