SCHEMBL5116807

SCHEMBL5116807

CC(C)c1ccn2c(NC3CCCCC3)c(-c3ccc(C#Cc4ccccn4)o3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
GAA P10253 7/20 0.49
GFER P55789 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL5121040 0.86 GAA (0.60) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5116813 0.84 GAA (0.47) ALDH1A1GAAGFERSMN1; SMN2HTT
SCHEMBL5127358 0.84 ALOX5 (0.52) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5128347 0.83 GAA (0.52) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5114554 0.80 PKM (0.65) ALDH1A1GAAGFERSMN1; SMN2HTT
SCHEMBL5120848 0.80 GAA (0.67) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5118714 0.80 ALOX5 (0.49) ALDH1A1GAAGFERMAPTKDM4E
SCHEMBL5114495 0.77 GAA (0.47) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5114530 0.76 GAA (0.48) ALDH1A1GAAGFERSMN1; SMN2LMNA
SCHEMBL5117418 0.76 GAA (0.46) ALDH1A1GAAGFERSMN1; SMN2LMNA

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 ALDH1A1 2777/4885GAA 234/4885GFER 3958/4885

“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.