SCHEMBL2890893

SCHEMBL2890893

CCCCOc1cc(OCCCN(CC)CC)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAOB P27338 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.44
KCNH2 Q12809 1/20 0.43
XDH P47989 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
SCHEMBL2976365 0.83 MAPT (0.50) MAPTALDH1A1MAOBKMT2AMEN1
SCHEMBL2889768 0.83 KDM4E (0.51) MAPTKDM4EALDH1A1MAOBKMT2A
SCHEMBL4986888 0.83 MAPT (0.71) MAPTKDM4EALDH1A1MAOBKMT2A
SCHEMBL4981533 0.82 SIRT5 (0.55) MAPTKDM4EALDH1A1MAOBMAPK1
SCHEMBL4981482 0.81 SIRT5 (0.53) MAPTKDM4EALDH1A1MAOBKMT2A
Diethylamine SCHEMBL2890896 0.81 MAPT (0.59) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL4983657 0.81 KDM4E (0.66) MAPTKDM4EALDH1A1MAOBKMT2A
SCHEMBL4986148 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1MAOBMAPK1
SCHEMBL4983931 0.80 MAPT (0.53) MAPTKDM4EKMT2AMAPK1SMN1; SMN2
SCHEMBL1665803 0.80 MAPT (0.55) MAPTKDM4EALDH1A1MAOBKMT2A

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 8 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
EP-1377295-A4 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2007-05-09 EP disclosed
EP-1377295-A2 CARBOXAMIDE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2004-01-07 EP 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

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-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents AGER, S100B, S100A4 MAPT 655/4885KDM4E 2929/4885ALDH1A1 2785/4885
US-20020193432-A1 Carboxamide derivatives as therapeutic agents AGER, S100B, S100A4 MAPT 624/4885KDM4E 2900/4885ALDH1A1 2802/4885
US-20080119512-A1 Carboxamide Derivatives as Therapeutic Agents AGER, S100B, S100A4 MAPT 655/4885KDM4E 2929/4885ALDH1A1 2785/4885

“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.