SCHEMBL3879182

SCHEMBL3879182

N#Cc1ccc(C(=O)N2CCC(c3nc4c(s3)CCN(C3=CC=C3)CC4)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 13/20 0.39
PDE2A O00408 2/20 0.39
PDE3A Q14432 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC9A1 P19634 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK7 Q13164 1/20 0.36

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
SCHEMBL3878552 0.95 CYP3A4 (0.41) FASNEPHX2CYP3A4CYP2C9SLC9A1
SCHEMBL3879180 0.85 FASN (0.42) FASNPDE2APDE3AEPHX2KCNH2
SCHEMBL3880890 0.83 PDE2A (0.42) PDE2ACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3879718 0.83 NOS1 (0.40) FASNCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3880580 0.83 UBE2M (0.42) CYP3A4CYP2C9SLC9A1CYP2C19ALDH1A1
SCHEMBL3879365 0.83 UBE2M (0.53) CYP3A4CYP2C9CYP2C19ALDH1A1MAPK7
SCHEMBL3879091 0.82 UBE2M (0.41) CYP3A4CYP2C9SLC9A1CYP2C19ALDH1A1
SCHEMBL3883230 0.82 GRM5 (0.32)
SCHEMBL3880002 0.81 PARP1 (0.36) CYP3A4
SCHEMBL3878546 0.80 L3MBTL3 (0.43) FASNEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
EP-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 FASN 4538/4885PDE2A 4486/4885PDE3A 4395/4885

“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.