SCHEMBL3580229

SCHEMBL3580229

O=S(=O)(N1CCOCC1)N1CCc2nc(-c3ccc(OCCCCl)cc3)sc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
HRH3 Q9Y5N1 3/20 0.37
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NOD2 Q9HC29 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL3581711 0.84 HRH3 (0.58) GRM5HRH3
SCHEMBL3578520 0.79 HRH3 (0.59) HRH3
SCHEMBL3667475 0.77 GRM5 (0.46) GRM5NPC1RAB9AKMT2AHRH3
SCHEMBL3667473 0.77 GRM5 (0.46) GRM5NPC1RAB9AKMT2AHRH3
SCHEMBL3581205 0.76 HRH3 (0.51) HRH3
SCHEMBL3577700 0.75 NPC1 (0.53) GRM5NPC1RAB9AKMT2APPARD
SCHEMBL3578989 0.73 NPC1 (0.48) NPC1RAB9AKMT2APPARDPPARA
SCHEMBL3575709 0.73 NPC1 (0.43) NPC1RAB9AKMT2A
SCHEMBL3581201 0.72 NPC1 (0.55) GRM5NPC1RAB9AKMT2AALDH1A1
SCHEMBL3575279 0.72 HRH3 (0.46) NPC1RAB9AKMT2APPARDPPARA

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
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
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 GRM5 204/4885NPC1 3536/4885RAB9A 3681/4885

“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.