SCHEMBL6450132

SCHEMBL6450132

CCCc1nc2c(C)cc(Br)cc2n1CC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HK1 P19367 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ AGTR1 P30556 2/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 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
SCHEMBL6458741 0.82 CYP2C9 (0.49) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL6454862 0.79 AGTR1 (0.38) KDM4EALDH1A1HSD17B10MAPK1AGTR1
SCHEMBL6449013 0.76 KDM4E (0.63) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL6448990 0.74 HPGD (0.35) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL15820597 0.67 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL411401 0.65 TSPO (0.58) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5190384 0.64 RAB9A (0.53) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL7975769 0.64 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL23014869 0.64 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL10368365 0.64 KDM4E (0.48) KDM4EALDH1A1HSD17B10TSHRHPGD

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 KDM4E 3275/4885ALDH1A1 585/4885HSD17B10 744/4885

“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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