SCHEMBL2331824

SCHEMBL2331824

COC(=O)c1ccc(CC(=O)Sc2cccc(OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
MTNR1A P48039 10/20 0.49
MTNR1B P49286 10/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8534162 0.80 MTNR1A (0.56) MTNR1AMTNR1BLMNA
SCHEMBL8993024 0.75 MTNR1A (0.60) NPC1RAB9ASMN1; SMN2POLBBLM
SCHEMBL5213132 0.74 LOXL2 (0.71) NPC1RAB9ASMN1; SMN2POLBBLM
SCHEMBL28470846 0.74 MTNR1A (0.55) RAB9ASMN1; SMN2MTNR1AMTNR1BTP53
SCHEMBL4810894 0.74 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2POLBBLM
SCHEMBL27886412 0.73 RAB9A (0.49) NPC1RAB9ASMN1; SMN2POLBBLM
SCHEMBL15761747 0.72 CA1 (0.61) NPC1RAB9ASMN1; SMN2POLBBLM
Hydrochloric Acid SCHEMBL16506765 0.72 HDAC1 (0.74) NPC1RAB9ASMN1; SMN2POLBBLM
SCHEMBL29879594 0.72 CA1 (0.61) NPC1RAB9ASMN1; SMN2POLBBLM
Methyl 3-Methoxybenzoate SCHEMBL384913 0.70 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2POLBBLM

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-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 US disclosed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 EP disclosed
US-9187447-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-8759548-B2 S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 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 (3 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-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NPC1 2185/4885RAB9A 3507/4885SMN1; SMN2 4391/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NPC1 2185/4885RAB9A 3507/4885SMN1; SMN2 4391/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NPC1 2185/4885RAB9A 3507/4885SMN1; SMN2 4391/4885

“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.