SCHEMBL1939079

SCHEMBL1939079

COC(=O)c1sccc1/N=C/N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK10 P53779 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL1939080 1.00 NPC1 (0.48) NPC1HSD17B10GAAKMT2AALDH1A1
SCHEMBL12713415 0.83 NPC1 (0.47) NPC1GAAKMT2AALDH1A1HTT
SCHEMBL12166529 0.77 KMT2A (0.50) NPC1HSD17B10GAAKMT2AALDH1A1
SCHEMBL13140451 0.77 NPC1 (0.53) NPC1KMT2AALDH1A1HTTMEN1
SCHEMBL1847139 0.76 KMT2A (0.48) NPC1KMT2AALDH1A1HTTMEN1
SCHEMBL1847138 0.76 KMT2A (0.48) NPC1KMT2AALDH1A1HTTMEN1
SCHEMBL4167131 0.76 ALDH1A1 (0.49) HSD17B10GAAKMT2AALDH1A1HTT
SCHEMBL4167134 0.76 ALDH1A1 (0.49) HSD17B10GAAKMT2AALDH1A1HTT
SCHEMBL1531393 0.75 ALDH1A1 (0.45) NPC1HSD17B10KMT2AALDH1A1HTT
SCHEMBL1531396 0.75 ALDH1A1 (0.45) NPC1HSD17B10KMT2AALDH1A1HTT

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-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP disclosed
EP-2331530-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS National Health Research Institutes (CN) 2011-06-15 EP disclosed
WO-2010036629-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 WO disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 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 (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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB NPC1 1260/4885HSD17B10 2879/4885GAA 1837/4885

“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.