SCHEMBL6779728

SCHEMBL6779728

O=C(NC(Cc1ccccc1-c1ccccc1)c1cccnc1)C1=COCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.53
▸ KCNH2 Q12809 3/20 0.53
▸ DHPS P49366 1/20 0.42
▸ TACR3 P29371 2/20 0.41
▸ SUCNR1 Q9BXA5 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ITGA4 P13612 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ROCK2 O75116 4/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ MAPK13 O15264 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL7673584 0.80 KCNA5 (0.48) KCNA5KCNH2DHPSTACR3SUCNR1
SCHEMBL6779481 0.76 KCNA5 (0.50) KCNA5KCNH2DHPSAKT1
SCHEMBL6779237 0.74 RXFP1 (0.50) KCNA5KCNH2SUCNR1KMT2AHTT
SCHEMBL2062779 0.71 KCNA5 (1.00) KCNA5KCNH2KMT2AMAPK1
SCHEMBL6779730 0.71 GPBAR1 (0.44) KCNA5KMT2AHTT
SCHEMBL2063707 0.70 KCNA5 (1.00) KCNA5KCNH2KMT2AMAPK1
SCHEMBL884636 0.67 KCNA5 (0.61) KCNA5KCNH2KMT2AHTTROCK2
SCHEMBL884571 0.67 KCNA5 (0.64) KCNA5KCNH2KMT2AADRB1ADRB3
SCHEMBL2063325 0.67 KCNA5 (1.00) KCNA5KCNH2HTTMAPK1
SCHEMBL884646 0.66 KCNA5 (0.71) KCNA5KCNH2KMT2A

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 KCNA5 3796/4885KCNH2 4341/4885DHPS 1002/4885

“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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