SCHEMBL8022992

SCHEMBL8022992

c1ccc(COc2ccc(-c3nc4c(s3)NCCCC4)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
WDR5 P61964 1/20 0.43
PRMT5 O14744 6/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IKBKE Q14164 1/20 0.40
XDH P47989 1/20 0.40
NR4A2 P43354 1/20 0.39
GSTP1 P09211 1/20 0.39
PTPN1 P18031 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
Hydrochloric Acid SCHEMBL3575297 0.99 MGAM (0.45) MGAMGAASIMGAM2WDR5
SCHEMBL8316989 0.84 PTGDR2 (0.38) GAANPC1POLBRAB9AKMT2A
SCHEMBL8312319 0.84 NPC1 (0.37) GAAMEN1NPC1POLBRAB9A
SCHEMBL8314142 0.79 NISCH (0.42) GAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8315893 0.77 MAPT (0.38) MGAMGAASIMGAM2NPC1
Hydrochloric Acid SCHEMBL8316299 0.76 LOXL2 (0.39) HRH3
SCHEMBL8315862 0.76 ALOX5 (0.44) GAANPC1RAB9ASMN1; SMN2
SCHEMBL8310827 0.76 PIK3CD (0.40) MEN1NPC1RAB9AKMT2AHRH3
SCHEMBL3669195 0.75 PDCD1 (0.52) MGAMGAASIMGAM2WDR5
Hydrochloric Acid SCHEMBL8313963 0.74 CDC7 (0.35) GAAMEN1NPC1RAB9AKMT2A

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-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-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-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 MGAM 1800/4885GAA 355/4885SI 660/4885
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 MGAM 4420/4885GAA 3653/4885SI 3381/4885

“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.