SCHEMBL6780403

SCHEMBL6780403

O=C(c1ccccc1Br)N(Cc1ccccc1-c1ccccc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KCNA5 P22460 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PDK1 Q15118 4/20 0.41
▸ HPGD P15428 2/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38

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
SCHEMBL6785514 0.87 LTB4R2 (0.46) KMT2APDK1HPGDLTB4R2MAPKAPK2
SCHEMBL6780637 0.83 LMNA (0.46) TSHRGAAKCNA5HTTKMT2A
SCHEMBL6781088 0.82 ALDH1A1 (0.45) TSHRGAAKCNA5HTTPDK1
SCHEMBL6778426 0.81 KMT2A (0.48) TSHRGAAKCNA5HTTKMT2A
SCHEMBL6774393 0.80 TSHR (0.47) TSHRHTTKMT2AHPGD
SCHEMBL6779695 0.78 LMNA (0.49) TSHRGAAKMT2APDK1HPGD
SCHEMBL6775285 0.78 GAA (0.46) TSHRGAAKCNA5HTTKCNH2
SCHEMBL4764550 0.77 LTB4R2 (0.47) TSHRGAAHTTKMT2APDK1
SCHEMBL6780065 0.76 NPY2R (0.42) TSHRGAAKCNA5HTTKCNH2
SCHEMBL6784951 0.74 KMT2A (0.44) TSHRGAAHTTKMT2AHPGD

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 4 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 claimed
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 TSHR 1297/4885GAA 596/4885KCNA5 3796/4885

“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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