SCHEMBL8244201

SCHEMBL8244201

O=C(O)Cc1c(-c2ccccc2Cl)[nH]c2ccc(F)cc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL8241244 0.86 EGFR (0.47) KDM4EALDH1A1GAAGLAHTT
SCHEMBL6824403 0.85 KDM4E (0.59) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL6295986 0.79 KDM4E (0.51) KDM4EALDH1A1GAAGLAHTT
SCHEMBL7411140 0.77 KDM4E (0.71) PPARGPTGS1PTGS2KDM4EALDH1A1
SCHEMBL15332528 0.75 KDM4E (0.46) PTGS2KDM4EALDH1A1GAAGLA
SCHEMBL4311458 0.75 FNTA (0.44) ALDH1A1FNTAFNTB
SCHEMBL24074225 0.74 MAP2 (0.55) KDM4EALDH1A1HTTMAPT
SCHEMBL9017489 0.74 PTGS1 (0.61) PPARGPTGS1PTGS2KDM4EALDH1A1
SCHEMBL3408821 0.74 KDM4E (0.73) PPARGPTGS1PTGS2KDM4EALDH1A1
SCHEMBL4303732 0.74 TSHR (0.52) PPARGPTGS1PTGS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
WO-2007061763-A2 INDOLE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 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-20090088452-A1 Indole Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR PPARG 2210/4885PTGS1 1698/4885PTGS2 2128/4885

“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.