SCHEMBL6704635

SCHEMBL6704635

N#Cc1cccc(Cc2ccc[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.61
▸ CYP2D6 P10635 3/20 0.42
▸ MPO P05164 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ CYP19A1 P11511 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ BRS3 P32247 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MEP1A Q16819 1/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 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
SCHEMBL27699988 0.85 HRH3 (0.49) HRH3GLADAOCYP19A1CYP11B1
SCHEMBL2153847 0.80 HRH3 (0.59) HRH3MPOGLADAOIDH1
SCHEMBL4196662 0.74 HRH3 (0.54) HRH3MPOGLAIDH1CYP19A1
SCHEMBL10516151 0.74 MAOB (0.46) HRH3CYP19A1CYP11B1CYP11B2
SCHEMBL28173296 0.74 DAO (0.53) MPODAO
SCHEMBL7489906 0.72 HRH3 (0.52) HRH3MPO
SCHEMBL1108477 0.72 TAAR1 (0.50) HRH3DAO
SCHEMBL2154019 0.72 GLA (0.53) HRH3GLACYP19A1CYP11B1CYP11B2
SCHEMBL28448952 0.71 DAO (0.51) HRH3GLADAOCYP19A1CYP11B1
SCHEMBL18641329 0.70 HRH3 (0.50) HRH3GLAIDH1CYP19A1CYP11B1

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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-05 — — US disclosed
EP-1289971-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 — — EP disclosed
WO-2001092241-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-06 — — WO 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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors APOB, APOL1, CETP HRH3 2721/4885CYP2D6 2199/4885MPO 169/4885

“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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