SCHEMBL5128546

SCHEMBL5128546

C#Cc1ccsc1-c1nc2c(C)cccn2c1NCC1CCCCC1.c1cc2cc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
GAA P10253 10/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
RCE1 Q9Y256 1/20 0.38
RAB9A P51151 2/20 0.36
MAPT P10636 8/20 0.35
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.34
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5129077 0.85 ATM (0.43) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL5124879 0.84 GAA (0.38) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL5116941 0.83 ALOX5 (0.43) ALOX5GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5122711 0.82 ALOX5 (0.41) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL5119833 0.81 GAA (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5124142 0.80 ALDH1A1 (0.33) ALOX5GAAKDM4EALDH1A1RAB9A
SCHEMBL5121126 0.79 PLAU (0.42) GAAKDM4EALDH1A1HPGDRAB9A
SCHEMBL5123835 0.79 NR1H4 (0.41) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5116602 0.77 GAA (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5128541 0.68 GAA (0.46) ALOX5GAAKDM4EALDH1A1HPGD

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 ALOX5 4142/4885GAA 234/4885KDM4E 1336/4885

“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.