SCHEMBL6779481

SCHEMBL6779481

O=C(NC(Cc1ccccc1-c1ccccc1)c1cccnc1)c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ PIN1 Q13526 8/20 0.46
▸ AKT1 P31749 1/20 0.44
▸ DHPS P49366 1/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ MMP12 P39900 1/20 0.42

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
SCHEMBL6779237 0.80 RXFP1 (0.50) KCNA5KCNH2
SCHEMBL6779728 0.76 KCNA5 (0.53) KCNA5KCNH2AKT1DHPS
SCHEMBL7673584 0.72 KCNA5 (0.48) KCNA5KCNH2DHPS
SCHEMBL6780065 0.72 NPY2R (0.42) KCNA5KCNH2
SCHEMBL6779489 0.71 CLK1 (0.48) —
SCHEMBL2062779 0.69 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL17991867 0.69 PIN1 (0.65) PIN1TAS1R3TAS1R1
SCHEMBL11949522 0.69 PIN1 (0.65) PIN1TAS1R3TAS1R1
SCHEMBL11296987 0.69 PIN1 (0.65) PIN1TAS1R3TAS1R1
SCHEMBL11950552 0.69 PIN1 (0.65) PIN1TAS1R3TAS1R1

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 KCNA5 3796/4885KCNH2 4341/4885PIN1 1077/4885

“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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