SCHEMBL4978956

SCHEMBL4978956

CCN(CC)CCCOc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.48
HTR6 P50406 2/20 0.48
MAPT P10636 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 2/20 0.47
SIRT6 Q8N6T7 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
HTT P42858 2/20 0.45
MAOB P27338 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4986148 0.87 KDM4E (0.48) APPMAPTALDH1A1SIRT5MAOB
SCHEMBL4980649 0.85 SIRT5 (0.54) APPHTR6MAPTALDH1A1SIRT5
SCHEMBL4981482 0.84 SIRT5 (0.53) APPHTR6MAPTALDH1A1SIRT5
SCHEMBL4981533 0.84 SIRT5 (0.55) APPHTR6MAPTALDH1A1SIRT5
SCHEMBL6474847 0.79 HTR6 (0.58) APPHTR6MAPTCYP1A2CYP2C9
SCHEMBL9760548 0.76 MAPT (0.63) APPHTR6MAPTALDH1A1SIRT5
SCHEMBL2889768 0.76 KDM4E (0.51) MAPTALDH1A1MAOBKDM4E
SCHEMBL4986888 0.76 MAPT (0.71) MAPTALDH1A1MAOBKDM4E
SCHEMBL4983931 0.75 MAPT (0.53) APPMAPTSIRT5SMN1; SMN2PKM
SCHEMBL9893373 0.75 BACE1 (0.50) HTR6MAPTSIRT5MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119534-A1 Benzimidazole Derivatives as Therapeutic Agents TRANS TECH PHARMA, INC (US) 2008-05-22 US disclosed
US-7087632-B2 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2006-08-08 US disclosed
EP-1387680-A1 BENZIMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS TransTech Pharma Inc. (US) 2004-02-11 EP disclosed
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, LLC 2003-02-13 US disclosed
WO-2002069965-A1 BENZIMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2002-09-12 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 (2 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-20080119534-A1 Benzimidazole Derivatives as Therapeutic Agents AGER, S100B, S100A4 APP 106/4885HTR6 1811/4885MAPT 539/4885
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 APP 96/4885HTR6 1596/4885MAPT 474/4885

“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.