SCHEMBL3590212

SCHEMBL3590212

O=c1ncccc2ncsc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.32
RIPK1 Q13546 1/20 0.32
PARP1 P09874 2/20 0.32
PDK1 Q15118 1/20 0.32

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
SCHEMBL13166536 0.74 MAPT (0.50) MEN1BLMKMT2ATDP1KDM4E
SCHEMBL3943646 0.72 MAPT (0.58) ALDH1A1HSD17B10MEN1BLMKMT2A
SCHEMBL2093032 0.71 ALDH1A1 (0.45) ALDH1A1HSD17B10TDP1KDM4EOPRM1
SCHEMBL11299368 0.71 PDPK1 (0.50) MEN1KMT2AKDM4EMAPTPARP1
SCHEMBL2722669 0.70 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1KDM4EPARP1
SCHEMBL12820 0.70
SCHEMBL29393471 0.70
SCHEMBL22798976 0.69 ALDH1A1 (0.43) ALDH1A1HSD17B10
SCHEMBL2809624 0.69 KDM4E (0.45) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL140968 0.69 LMNA (0.54) ALDH1A1TDP1KDM4EMAPTRIPK1

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-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP claimed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO claimed
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-10 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 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 (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-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ALDH1A1 4106/4885HSD17B10 3496/4885TDP2 896/4885
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 ALDH1A1 2035/4885HSD17B10 2678/4885TDP2 4772/4885

“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.