SCHEMBL2889768

SCHEMBL2889768

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPT P10636 4/20 0.49
MAOB P27338 4/20 0.48
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAOA P21397 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHRNA7 P36544 1/20 0.44
KMT2A Q03164 1/20 0.44
XDH P47989 2/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL12210768 0.86 MAPT (0.60) MAPTALDH1A1LMNAKMT2AATM
SCHEMBL4986888 0.84 MAPT (0.71) KDM4EMAPTMAOBSIGMAR1ALDH1A1
SCHEMBL4014456 0.83 MAPT (0.68) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL2890893 0.83 MAPT (0.51) KDM4EMAPTMAOBSIGMAR1HRH3
SCHEMBL15923825 0.82 MAPT (0.56) MAPTALDH1A1LMNAKMT2AATM
SCHEMBL30380932 0.82 CHRNB2 (0.58) KDM4EMAPTHRH3ALDH1A1LMNA
SCHEMBL1283404 0.82 KDM4E (0.44) KDM4EMAOBSIGMAR1HRH3MAOA
SCHEMBL1962346 0.82 CHRNB2 (0.58) KDM4EMAPTHRH3ALDH1A1LMNA
SCHEMBL4983657 0.82 KDM4E (0.66) KDM4EMAPTMAOBSIGMAR1ALDH1A1
SCHEMBL4986148 0.81 KDM4E (0.48) KDM4EMAPTMAOBSIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents TRANSTECH PHARMA, INC. 2010-11-11 US disclosed
US-7776919-B2 Carboxamide derivatives as therapeutic agents TransTech Pharm, Inc. (US) 2010-08-17 US disclosed
US-7423177-B2 Carboxamide derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-09-09 US disclosed
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2008-05-22 US disclosed
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
EP-1377295-A4 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2007-05-09 EP 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
EP-1377295-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2004-01-07 EP disclosed
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents TRANSTECH PHARMA, LLC 2003-02-13 US disclosed
US-20020193432-A1 Carboxamide derivatives as therapeutic agents VTVX HOLDINGS I LLC 2002-12-19 US disclosed
WO-2002070473-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2002-09-12 WO 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 (6 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-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents AGER, S100B, S100A4 KDM4E 2929/4885MAPT 655/4885MAOB 2008/4885
US-20080119534-A1 Benzimidazole Derivatives as Therapeutic Agents AGER, S100B, S100A4 KDM4E 3269/4885MAPT 539/4885MAOB 1721/4885
US-20030032663-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 3282/4885MAPT 474/4885MAOB 1747/4885
US-20020193432-A1 Carboxamide derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 2900/4885MAPT 624/4885MAOB 2088/4885
US-20060025464-A1 Benzimidazole derivatives as therapeutic agents AGER, S100B, S100A4 KDM4E 3269/4885MAPT 539/4885MAOB 1721/4885
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents AGER, S100B, S100A4 KDM4E 2929/4885MAPT 655/4885MAOB 2008/4885

“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.