SCHEMBL2332944

SCHEMBL2332944

COC(=O)Cc1cc(Br)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
Hydrochloric Acid SCHEMBL27660641 0.98 HSP90AB1 (0.42) HSP90AB1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL31176839 0.82 RPS6KB2 (0.42) ALDH1A1LMNATP53L3MBTL1CES2
SCHEMBL7958215 0.82 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL8139675 0.81 HSP90AB1 (0.52) HSP90AB1ALDH1A1HSD17B10CASP1CASP7
SCHEMBL1551334 0.81 HSP90AB1 (0.43) HSP90AB1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27351557 0.80 HSP90AB1 (0.50) HSP90AB1ALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL27660644 0.80 HSP90AB1 (0.42) HSP90AB1ALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8239568 0.80 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2CES2CES1
SCHEMBL13185510 0.79 GSK3B (0.44) HSP90AB1ALDH1A1LMNANPC1TP53
SCHEMBL2332640 0.79 PARP1 (0.45) HSP90AB1ALDH1A1LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
WO-2021129817-A1 PYRIMIDINE-BASED COMPOUND HAVING INHIBITORY EFFECT OF KETOHEXOKINASE (KHK) 南京明德新药研发有限公司 2021-07-01 WO disclosed
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
CN-102869255-A Novel S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-01-09 CN 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
CN-1956971-A Novel fused heterocycles and application thereof ASTRAZENECA AB (SE) 2007-05-02 CN 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 HSP90AB1 1328/4885ALDH1A1 344/4885LMNA 4728/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR HSP90AB1 1328/4885ALDH1A1 344/4885LMNA 4728/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR HSP90AB1 1328/4885ALDH1A1 344/4885LMNA 4728/4885

“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.