SCHEMBL6454862

SCHEMBL6454862

CCCc1nc2c(C)cc(Br)cc2n1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 12/20 0.38
▸ AGTR2 P50052 7/20 0.38
▸ PPARG P37231 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ GLRA1 P23415 1/20 0.38
▸ PDE4A P27815 1/20 0.38

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
SCHEMBL6448038 0.80 AGTR1 (0.50) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL6448990 0.79 HPGD (0.35) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL6450132 0.79 KDM4E (0.40) AGTR1AGTR2KDM4EALDH1A1MAPK1
SCHEMBL6449372 0.74 PPARG (0.66) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL6451041 0.69 AGTR1 (0.46) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL10176962 0.66 PDE10A (0.34) KDM4EALDH1A1CYP2C9PDE4APDE4D
SCHEMBL15071631 0.66 KDM4E (0.43) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL10176976 0.66 KMT2A (0.66) PPARGKDM4EALDH1A1TBXA2R
SCHEMBL6450185 0.65 PPARG (0.61) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL25105335 0.65 NQO2 (0.41) KDM4EALDH1A1CYP3A4CYP2C9MAPK1

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
US-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 — — US disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 — — 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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA AGTR1 4/4885AGTR2 6/4885PPARG 1/4885

“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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