SCHEMBL6779489

SCHEMBL6779489

O=C(c1cc2ccccc2s1)N(Cc1cccnc1)Cc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.48
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ GPBAR1 Q8TDU6 6/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NR1D1 P20393 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TBXAS1 P24557 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL6780065 0.83 NPY2R (0.42) CLK1KDM4EL3MBTL1TBXAS1NPY2R
SCHEMBL6779240 0.79 HPGD (0.51) GPBAR1KMT2ALMNATP53MAPT
SCHEMBL6779984 0.78 NPY2R (0.44) HDAC3HDAC1HDAC2GPBAR1TBXAS1
SCHEMBL6778426 0.76 KMT2A (0.48) GPBAR1KDM4EHSD17B10KMT2ATP53
SCHEMBL6780567 0.76 GPBAR1 (0.49) GPBAR1KDM4EHSD17B10KMT2ALMNA
SCHEMBL6779730 0.74 GPBAR1 (0.44) GPBAR1KMT2APOLBALDH1A1
SCHEMBL6777732 0.74 LPAR1 (0.52) KDM4EHSD17B10L3MBTL1KMT2APOLB
SCHEMBL6785255 0.73 LMNA (0.51) GPBAR1KDM4EHSD17B10L3MBTL1KMT2A
SCHEMBL6778233 0.73 HTT (0.51) GPBAR1KMT2ALMNAPOLBMAPT
SCHEMBL6774110 0.73 SGMS2 (0.50) KMT2APOLBMAPTALDH1A1CYP11B1

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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — US claimed
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 CLK1 4666/4885HDAC3 398/4885HDAC1 427/4885

“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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