SCHEMBL3584182

SCHEMBL3584182

O=C(Nc1cnccc1O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 4/20 0.61
CASP3 P42574 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
GPR132 Q9UNW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
HDAC1 Q13547 2/20 0.51

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
SCHEMBL3671003 0.87 RAB9A (0.60) RAB9ASMN1; SMN2NPC1CASP3TAAR1
SCHEMBL28561950 0.82 KDM4D (0.69) RAB9AHDAC1HDAC3HDAC2HTT
SCHEMBL7322517 0.81 RAB9A (0.77) RAB9ASMN1; SMN2NPC1CASP3TAAR1
SCHEMBL12010986 0.81 RAB9A (0.80) RAB9ASMN1; SMN2NPC1TAAR1MEN1
SCHEMBL12464788 0.79 RAB9A (0.65) RAB9ASMN1; SMN2NPC1CASP3TAAR1
SCHEMBL24124842 0.77 RAB9A (0.65) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2290164 0.77 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2NPC1CASP3TAAR1
SCHEMBL22192264 0.76 RAB9A (0.94) RAB9ASMN1; SMN2NPC1CASP3TAAR1
SCHEMBL27741786 0.76 NPC1 (0.72) RAB9ASMN1; SMN2NPC1CASP3TAAR1
SCHEMBL16456356 0.76 TRPV1 (0.60) RAB9ASMN1; SMN2NPC1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP 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
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO 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 (2 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 RAB9A 1553/4885SMN1; SMN2 3381/4885NPC1 162/4885
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 RAB9A 3681/4885SMN1; SMN2 4815/4885NPC1 3536/4885

“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.