SCHEMBL4986148

SCHEMBL4986148

CCNc1cc(OCCCN(CC)CC)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
MAPT P10636 8/20 0.46
LMNA P02545 3/20 0.46
MAOB P27338 3/20 0.45
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAOA P21397 1/20 0.42
KCNH2 Q12809 1/20 0.42

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 0.92 SIRT5 (0.54) KDM4ESIRT5MAPTLMNAMAOB
SCHEMBL4981482 0.91 SIRT5 (0.53) KDM4ESIRT5MAPTLMNAMAOB
SCHEMBL4981533 0.90 SIRT5 (0.55) KDM4ESIRT5MAPTLMNAMAOB
SCHEMBL4978956 0.87 APP (0.48) KDM4ESIRT5MAPTMAOBAPP
SCHEMBL16408289 0.82 SIRT5 (0.51) SIRT5MAPTLMNASMN1; SMN2ALPG
SCHEMBL9760548 0.81 MAPT (0.63) SIRT5MAPTLMNAAPPSMN1; SMN2
SCHEMBL4986888 0.81 MAPT (0.71) KDM4EMAPTLMNAMAOBTDP1
SCHEMBL2889768 0.81 KDM4E (0.51) KDM4EMAPTLMNAMAOBTDP1
SCHEMBL1665803 0.80 MAPT (0.55) KDM4EMAPTLMNAMAOBSMN1; SMN2
SCHEMBL4983931 0.80 MAPT (0.53) KDM4ESIRT5MAPTLMNAAPP

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 KDM4E 3269/4885SIRT5 2832/4885MAPT 539/4885
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 3282/4885SIRT5 2799/4885MAPT 474/4885
US-20060025464-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 3269/4885SIRT5 2832/4885MAPT 539/4885

“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.