SCHEMBL3579620

SCHEMBL3579620

ClCCCOc1ccc(-c2nc3c(s2)CCNCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.43
PPARA Q07869 5/20 0.43
PDCD1 Q15116 4/20 0.41
CD274 Q9NZQ7 4/20 0.41
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADORA2A P29274 1/20 0.34
HTT P42858 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
SCHEMBL3582333 0.91 PDCD1 (0.45) PPARDPPARAPDCD1CD274FFAR4
SCHEMBL3584441 0.91 PDCD1 (0.50) PPARDPPARAPDCD1CD274FFAR4
SCHEMBL3582711 0.78 HRH3 (0.56) HRH2HRH1HRH3
SCHEMBL3582060 0.77 HRH3 (0.49) PPARDPPARAMAPTRAB9ALMNA
SCHEMBL4050576 0.77 MAOA (0.33) PPARDPPARAPDCD1CD274MAPT
SCHEMBL3883955 0.76 HTR2C (0.44) PDCD1CD274HRH3
SCHEMBL19674697 0.76 HTR2C (0.46) PDCD1CD274
SCHEMBL3582650 0.75 HRH3 (0.53) ATP4AATP4BHRH1HRH3
SCHEMBL3574319 0.74 PPARD (0.49) PPARDPPARAFFAR4MAPTLMNA
SCHEMBL3879640 0.74 PDCD1 (0.38) PDCD1CD274RAB9AKDM4ENPC1

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
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 PPARD 1213/4885PPARA 1138/4885PDCD1 1185/4885

“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.