SCHEMBL1468005

SCHEMBL1468005

CCCCNC(=O)c1ccc(NCCCOC)c(N)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.69
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 3/20 0.50
PRSS1 P07477 4/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PLEC Q15149 1/20 0.46

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
SCHEMBL9251955 0.82 MAPT (0.66) PTGER4ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL15774530 0.81 PTGER4 (1.00) PTGER4ALDH1A1GAAMAPTKDM4E
SCHEMBL22135331 0.79 PRSS1 (0.59) PTGER4ALDH1A1GAAMAPTKDM4E
SCHEMBL9525197 0.79 KDM4E (0.72) PTGER4ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL3951255 0.79 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL9360969 0.78 HDAC3 (0.58) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL11571129 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2GAAHPGDHTT
Hydrochloric Acid SCHEMBL9252446 0.78 MAPT (0.67) PTGER4ALDH1A1SMN1; SMN2GAAMAPT
Hydrochloric Acid SCHEMBL2947137 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL14094315 0.77 ALDH1A1 (0.67) PTGER4ALDH1A1SMN1; SMN2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 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 (1 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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES ADORA2A, ADORA2B, ADORA1 PTGER4 710/4885ALDH1A1 521/4885SMN1; SMN2 735/4885

“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.