SCHEMBL2102562

SCHEMBL2102562

c1ccc(-c2cccc(Cc3c[nH]cn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.51
▸ AGXT P21549 1/20 0.41
▸ MPO P05164 1/20 0.40
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ DAO P14920 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
SCHEMBL2104493 0.88 PTPN5 (0.41) HRH3PTPN5
SCHEMBL649075 0.84 ALDH1A1 (0.46) HRH3ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL31060957 0.80 HRH3 (0.55) HRH3
SCHEMBL2104702 0.79 DPYD (0.51) MPOALDH1A1RAB9AL3MBTL1
SCHEMBL11045854 0.79 DAO (0.42) HRH3MPODAO
SCHEMBL28260269 0.79 DAO (0.42) AGXTMPODAO
SCHEMBL2105133 0.79 PNMT (0.43) AGXTMPOBACE1DAO
SCHEMBL28827289 0.76 ADRA2A (0.36) —
SCHEMBL6967970 0.75 ALDH1A1 (0.39) HRH3ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL2103758 0.75 BACE1 (0.47) HRH3MPOBACE1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 — — CN claimed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — EP claimed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 — — CN claimed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP claimed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US claimed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO claimed
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 — — CN disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 — — US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — EP disclosed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 — — CN disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A HRH3 213/4885AGXT 2053/4885MPO 3119/4885

“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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