SCHEMBL3884744

SCHEMBL3884744

O=C(c1ccc(C(F)(F)F)nc1)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 4/20 0.41
DPP4 P27487 1/20 0.39
UBE2M P61081 5/20 0.36
DCUN1D1 Q96GG9 5/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 3/20 0.35
SLC9A1 P19634 3/20 0.35
CYP2C9 P11712 3/20 0.35
SPR P35270 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3880379 0.87 UBE2M (0.41) UBE2MDCUN1D1LMNATP53CYP3A4
SCHEMBL3879718 0.85 NOS1 (0.40) UBE2MDCUN1D1LMNATP53CYP3A4
SCHEMBL3884740 0.84 HRH3 (0.44) SFRP1DPP4KCNH2
SCHEMBL3879404 0.84 UBE2M (0.39) UBE2MDCUN1D1LMNATP53CYP3A4
SCHEMBL3880580 0.83 UBE2M (0.42) UBE2MDCUN1D1LMNATP53CYP3A4
SCHEMBL3879365 0.83 UBE2M (0.53) UBE2MDCUN1D1LMNATP53CYP3A4
SCHEMBL3879091 0.83 UBE2M (0.41) UBE2MDCUN1D1LMNATP53CYP3A4
SCHEMBL3881016 0.82 CYP2C9 (0.42) UBE2MDCUN1D1LMNATP53SLC9A1
SCHEMBL3880890 0.82 PDE2A (0.42) UBE2MDCUN1D1LMNACYP3A4CYP2C9
SCHEMBL3878552 0.81 CYP3A4 (0.41) UBE2MDCUN1D1LMNATP53CYP3A4

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 SFRP1 1348/4885DPP4 658/4885UBE2M 4124/4885

“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.