SCHEMBL193560

SCHEMBL193560

O=[N+]([O-])c1ccc2c(c1)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CAPN9 O14815 1/20 0.56
CASP3 P42574 1/20 0.56
SNCA P37840 4/20 0.56
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 2/20 0.53
CYP1A2 P05177 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NOS1 P29475 2/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL29242097 1.00 MEN1 (0.61) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL31344376 1.00 MEN1 (0.61) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL31273494 0.82 KMT2A (0.83) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL12237296 0.80 CAPN9 (0.55) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL29625234 0.79 SNCA (0.84) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL29636440 0.79 MEN1 (0.59) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL1208092 0.79 SNCA (0.84) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL3031049 0.79 SNCA (0.68) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL10346886 0.79 MEN1 (0.59) MEN1KMT2ACAPN9CASP3SNCA
SCHEMBL11554629 0.79 MEN1 (0.61) MEN1KMT2ACAPN9CASP3SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400976-B1 SOFT PROTEASE INHIBITORS, AND PRO-SOFT FORMS THEREOF TUFTS COLLEGE (US) 2016-12-14 EP disclosed
US-8513187-B2 Soft protease inhibitors, and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-08-20 US disclosed
US-20120178677-A1 SOFT PROTEASE INHIBITORS, AND PRO-SOFT FORMS THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2012-07-12 US disclosed
EP-2400976-A1 SOFT PROTEASE INHIBITORS, AND PRO-SOFT FORMS THEREOF Trustees Of Tufts College (US) 2012-01-04 EP disclosed
WO-2010099537-A1 SOFT PROTEASE INHIBITORS, AND PRO-SOFT FORMS THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2010-09-02 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-20120178677-A1 SOFT PROTEASE INHIBITORS, AND PRO-SOFT FORMS THEREOF DPP4, LIPE, PREP MEN1 2451/4885KMT2A 823/4885CAPN9 286/4885

“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.