SCHEMBL629449

SCHEMBL629449

O=Cc1cc([N+](=O)[O-])c(OCc2ccccc2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.46
BACE1 P56817 1/20 0.45
ERN1 O75460 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ABCB1 P08183 1/20 0.43
CYP19A1 P11511 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9005400 0.85 CTSV (0.53) CTSVCTSLMAOBPOLBMEN1
SCHEMBL15534720 0.85 CTSV (0.49) CTSVCTSLPOLBERN1MEN1
SCHEMBL6703657 0.82 ERN1 (0.51) MAOBPOLBERN1MAPTNPC1
SCHEMBL4891360 0.81 MAPT (0.55) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL7116860 0.80 POLB (0.56) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL9313845 0.79 CTSV (0.50) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL25205296 0.79 FFAR1 (0.49) MAOBPOLBERN1MAPTNPC1
SCHEMBL3610064 0.79 NPC1 (0.49) MAOBPOLBERN1MEN1KMT2A
SCHEMBL3606914 0.79 SMN1; SMN2 (0.52) MAOBPOLBERN1MAPTRAB9A
SCHEMBL16096378 0.79 ERN1 (0.51) MAOBERN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
CN-101326173-A Thiadiazoles derivant as anti-diabetes agent NOVARTIS AG (CH) 2008-12-17 CN disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC CTSV 2602/4885CTSL 3599/4885MAOB 1091/4885

“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.