SCHEMBL3882222

SCHEMBL3882222

O=C(c1csnn1)N1CCC(c2nc3c(s2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 6/20 0.38
HPGD P15428 3/20 0.38
CYP2D6 P10635 13/20 0.37
CYP1A2 P05177 6/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 10/20 0.36
CYP2C19 P33261 8/20 0.36
CYP2C9 P11712 6/20 0.36
USP2 O75604 6/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3879772 0.84 L3MBTL1 (0.44) ALDH1A1HSD17B10CYP2D6TSHRCYP2C19
SCHEMBL3878394 0.83 UBE2M (0.36) ALDH1A1HSD17B10CYP1A2TSHRCYP3A4
SCHEMBL3884855 0.83 GRM5 (0.32) ALDH1A1HSD17B10CYP1A2TSHRCYP3A4
SCHEMBL3882219 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDCYP2D6CYP1A2
SCHEMBL3885757 0.82 GRM5 (0.37) ALDH1A1
SCHEMBL3882841 0.82 UBE2M (0.33) ALDH1A1HSD17B10CYP1A2TSHRCYP3A4
SCHEMBL3879091 0.82 UBE2M (0.41) ALDH1A1HSD17B10CYP2D6CYP1A2TSHR
SCHEMBL3878678 0.81 GRM5 (0.43) ALDH1A1HSD17B10CYP2D6TSHRSMN1; SMN2
SCHEMBL3878476 0.81 RBP4 (0.43)
SCHEMBL3878879 0.81 SMN1; SMN2 (0.38) ALDH1A1HSD17B10CYP1A2TSHRCYP3A4

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 4 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

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 ALDH1A1 1866/4885HSD17B10 2770/4885HPGD 1190/4885

“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.