SCHEMBL6502085

SCHEMBL6502085

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1c(C)nc2c(C)cc(-c3cccc(C(=O)O)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
PPARD Q03181 16/20 0.45
PPARA Q07869 14/20 0.45
PPARG P37231 11/20 0.45
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 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
SCHEMBL6491350 0.91 MAPT (0.44) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL6490170 0.78 PPARD (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL6488927 0.77 MRGPRX4 (0.44) MAPT
SCHEMBL6489283 0.75 PPARD (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL6500025 0.73 NR1H4 (0.51) NR1H4PPARDPPARAPPARGMAPT
SCHEMBL6496733 0.73 ALOX5AP (0.47) PPARGSMN1; SMN2
SCHEMBL6489563 0.72 SMN1; SMN2 (0.52) PPARGMAPTALDH1A1SMN1; SMN2
SCHEMBL6487982 0.71 DCTPP1 (0.41) PPARGSMN1; SMN2
SCHEMBL6490645 0.71 PTGDR (0.44) PPARGSMN1; SMN2
SCHEMBL6492692 0.70 USP2 (0.45) NR1H4PPARDPPARAPPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD NR1H4 1441/4885PPARD 290/4885PPARA 665/4885

“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.