SCHEMBL4122642

SCHEMBL4122642

O=C(O)N/N=C/c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.65
▸ ESRRG P62508 1/20 0.65
▸ ESR2 Q92731 1/20 0.65
▸ LMNA P02545 3/20 0.65
▸ HTT P42858 1/20 0.65
▸ DNM1 Q05193 2/20 0.58
▸ FAAH O00519 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MAPT P10636 2/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ PPARG P37231 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ RRM1 P23921 1/20 0.55
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ECE2 P0DPD6 1/20 0.52

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
SCHEMBL4122644 1.00 ESR1 (0.65) ESR1ESRRGESR2LMNAHTT
SCHEMBL28431011 0.87 ESR1 (0.62) ESR1ESRRGESR2LMNAHTT
SCHEMBL28437518 0.87 ESR1 (0.62) ESR1ESRRGESR2LMNAHTT
SCHEMBL27178132 0.86 ESRRG (0.82) ESR1ESRRGESR2LMNAHTT
SCHEMBL27178122 0.86 ESRRG (0.82) ESR1ESRRGESR2LMNAHTT
SCHEMBL30513741 0.86 ESRRG (0.82) ESR1ESRRGESR2LMNAHTT
SCHEMBL28874964 0.85 LMNA (0.72) ESR1ESRRGESR2LMNAHTT
SCHEMBL13569020 0.84 ESR1 (0.89) ESR1ESRRGESR2LMNAHTT
SCHEMBL17452447 0.83 RAB9A (0.66) ESR1ESRRGESR2LMNAHTT
SCHEMBL27178032 0.82 KMT2A (0.64) ESR1ESRRGESR2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 — — US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 — — EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 — — US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 — — US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 — — EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 — — 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 (2 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD ESR1 727/4885ESRRG 110/4885ESR2 183/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD ESR1 263/4885ESRRG 116/4885ESR2 97/4885

“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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