SCHEMBL2574007

SCHEMBL2574007

C=COCCOc1ccc(S(=O)(=O)OCc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.38
RECQL P46063 2/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.36
LTA4H P09960 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA4 P22748 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7604077 0.78 SMN1; SMN2 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL952171 0.77 KMT2A (0.49) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL7602645 0.76 PRMT5 (0.43) KMT2AMEN1MAPK1ALDH1A1CA12
SCHEMBL13671024 0.75 PTPN1 (0.48) SMN1; SMN2RECQLMAPK1ALDH1A1CA12
SCHEMBL59130 0.75 ALDH1A1 (0.47) RAB9AKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL4866300 0.72 CA12 (0.41) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL3253710 0.72 PTGS2 (0.42) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL4131884 0.71 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2MAPTRECQL
SCHEMBL17923163 0.70 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL17923162 0.70 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP claimed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO claimed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US claimed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP disclosed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 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-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 NPC1 509/4885RAB9A 471/4885KMT2A 2809/4885

“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.