SCHEMBL6317460

SCHEMBL6317460

CCCCNC(=O)c1c(-c2ccsc2)noc1NC(=O)Nc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TRPV1 Q8NER1 5/20 0.40
GAA P10253 1/20 0.40
GSK3B P49841 1/20 0.40
MAPT P10636 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
SCHEMBL6318223 0.90 GAA (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6316663 0.84 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL6323570 0.82 NPC1 (0.47) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL6316540 0.81 GAA (0.48) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL6318504 0.81 GAA (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6316801 0.81 ADORA1 (0.47) NPC1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL6324057 0.81 L3MBTL1 (0.47) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL6318603 0.79 L3MBTL1 (0.47) MEN1KMT2ACDK2L3MBTL1POLB
SCHEMBL6319331 0.79 HDAC3 (0.47) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL6322113 0.78 GAA (0.42) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 NPC1 3741/4885RAB9A 1754/4885MEN1 2789/4885

“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.