SCHEMBL521703

SCHEMBL521703

COc1ccc(CCc2onc(C)c2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 1/20 0.49
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
DCTPP1 Q9H773 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 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
SCHEMBL521887 0.85 TSHR (0.45) RAB9ANPC1POLBKCNJ1KCNH2
SCHEMBL522589 0.84 ALDH1A1 (0.47) RAB9ANPC1POLBKCNJ1KCNH2
SCHEMBL521563 0.84 ALDH1A1 (0.44) RAB9ANPC1POLBMAPTKMT2A
SCHEMBL520852 0.83 SMN1; SMN2 (0.44) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL10033922 0.74 GAA (0.41) RAB9ANPC1POLBMAPTKMT2A
SCHEMBL3454669 0.71 KMT2A (0.39) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL522664 0.71 KMT2A (0.60) RAB9ANPC1POLBMAPTKMT2A
SCHEMBL522665 0.71 KMT2A (0.60) RAB9ANPC1POLBMAPTKMT2A
SCHEMBL6612124 0.70 MAPT (0.39) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL18625798 0.69 ALDH1A1 (0.34) RAB9ANPC1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US claimed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP claimed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO claimed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP claimed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP disclosed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST RAB9A 2458/4885NPC1 2488/4885POLB 1533/4885

“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.