SCHEMBL6779730

SCHEMBL6779730

O=C(C1=COCO1)N(Cc1cccnc1)Cc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KCNA5 P22460 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALKBH5 Q6P6C2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ HTR5A P47898 1/20 0.39

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
SCHEMBL7673590 0.79 ALDH1A1 (0.46) GPBAR1KMT2AHTTFNTAFNTB
SCHEMBL6778426 0.78 KMT2A (0.48) GPBAR1KMT2AHTTFNTAFNTB
SCHEMBL6780567 0.77 GPBAR1 (0.49) GPBAR1KMT2AHTTFNTAFNTB
SCHEMBL6778233 0.77 HTT (0.51) GPBAR1KMT2AHTTALDH1A1KCNA5
SCHEMBL6775116 0.77 MAPKAPK2 (0.41) GPBAR1KMT2AGAATSHR
SCHEMBL6777732 0.76 LPAR1 (0.52) KMT2AHTTALDH1A1GAAKCNA5
SCHEMBL6774110 0.75 SGMS2 (0.50) KMT2AHTTALDH1A1KCNA5POLB
SCHEMBL6785255 0.75 LMNA (0.51) GPBAR1KMT2AHTTALDH1A1GAA
SCHEMBL6780767 0.74 ALDH1A1 (0.46) GPBAR1KMT2AHTTALDH1A1GAA
SCHEMBL6779489 0.74 CLK1 (0.48) GPBAR1KMT2AALDH1A1POLB

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-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT GPBAR1 127/4885KMT2A 1440/4885HTT 2758/4885

“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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