SCHEMBL4981533

SCHEMBL4981533

CCCCNc1cc(OCCCN(CC)CC)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.55
MAPT P10636 9/20 0.49
APP P05067 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALPG P10696 1/20 0.49
LMNA P02545 3/20 0.49
SLC2A1 P11166 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 2/20 0.45
HCAR3 P49019 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KAT2B Q92831 1/20 0.44
HTR6 P50406 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL4980649 0.95 SIRT5 (0.54) SIRT5MAPTAPPSMN1; SMN2TDP1
SCHEMBL4981482 0.94 SIRT5 (0.53) SIRT5MAPTAPPSMN1; SMN2TDP1
SCHEMBL4983931 0.91 MAPT (0.53) SIRT5MAPTAPPSMN1; SMN2LMNA
SCHEMBL4986148 0.90 KDM4E (0.48) SIRT5MAPTAPPSMN1; SMN2TDP1
SCHEMBL9760548 0.86 MAPT (0.63) SIRT5MAPTAPPSMN1; SMN2TDP1
SCHEMBL4978956 0.84 APP (0.48) SIRT5MAPTAPPSMN1; SMN2KDM4E
SCHEMBL2890893 0.82 MAPT (0.51) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9759851 0.82 MAPT (0.56) SIRT5MAPTAPPSMN1; SMN2TDP1
SCHEMBL762553 0.81 SMN1; SMN2 (0.60) SIRT5MAPTSMN1; SMN2TDP1ALPG
Hydrochloric Acid SCHEMBL9759845 0.81 MAPT (0.55) SIRT5MAPTAPPSMN1; SMN2TDP1

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 7 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-7329684-B2 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-02-12 US disclosed
US-7087632-B2 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2006-08-08 US disclosed
US-20060025464-A1 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, LLC 2006-02-02 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 (3 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 SIRT5 2832/4885MAPT 539/4885APP 106/4885
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 SIRT5 2799/4885MAPT 474/4885APP 96/4885
US-20060025464-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 SIRT5 2832/4885MAPT 539/4885APP 106/4885

“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.