SCHEMBL5313736

SCHEMBL5313736

CC(=O)ON=C(N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
KMT2A Q03164 8/20 0.60
MAPT P10636 8/20 0.60
MEN1 O00255 6/20 0.59
AHR P35869 1/20 0.59
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL5313730 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL17673783 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL27852524 0.85 MAPK1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5314839 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5314844 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5308301 0.83 KMT2A (0.70) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5308305 0.83 KMT2A (0.70) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL20501863 0.82 MAPT (0.77) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL20501866 0.82 MAPT (0.77) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL16690170 0.81 MAPK1 (0.53) KMT2AMAPTMEN1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
EP-2707364-B1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR ZRT (HU) 2016-08-24 EP disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
EP-2707364-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2014-03-19 EP disclosed
WO-2012153158-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2012-11-15 WO disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 NPC1 773/4885RAB9A 614/4885SMN1; SMN2 2173/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 NPC1 66/4885RAB9A 3766/4885SMN1; SMN2 991/4885

“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.