SCHEMBL5113411

SCHEMBL5113411

Cc1cccc(C#Cc2cccc(-c3nc4ccc(Cl)cn4c3Nc3ccccc3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.54
GAA P10253 9/20 0.50
GRM5 P41594 3/20 0.47
MAPT P10636 5/20 0.46
TP53 P04637 6/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5117719 0.91 GAA (0.57) GAAGRM5MAPTTP53KDM4E
SCHEMBL5121164 0.88 GAA (0.52) TRPA1GAAMAPTTP53KDM4E
SCHEMBL5128069 0.87 TRPA1 (0.72) TRPA1GRM5MAPTALDH1A1MEN1
SCHEMBL5129211 0.87 TUBB4A (0.50) GAAGRM5MAPTTP53KDM4E
SCHEMBL5119275 0.83 TRPA1 (0.61) TRPA1GAAGRM5KDM4EALDH1A1
SCHEMBL5113404 0.82 TRPA1 (0.60) TRPA1GAAALDH1A1
SCHEMBL5121057 0.81 GAA (0.59) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL5120661 0.77 GAA (0.54) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL5114294 0.74 TRPA1 (0.57) TRPA1GAAMAPTTP53ALDH1A1
SCHEMBL5127414 0.74 TUBB4A (0.55) GAAMAPTTP53KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS TRPA1 3616/4885GAA 234/4885GRM5 3357/4885

“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.