SCHEMBL2330959

SCHEMBL2330959

COc1ccc2c(=O)c(I)c(C)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PRNP P04156 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ CES2 O00748 1/20 0.42

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
SCHEMBL2129508 0.87 TSHR (0.45) TDP1KDM4EALDH1A1MAPTNPC1
SCHEMBL30017661 0.81 KDM4E (0.67) HPGDTDP1KDM4EALDH1A1MAPT
SCHEMBL13338880 0.81 KDM4E (0.67) HPGDTDP1KDM4EALDH1A1MAPT
SCHEMBL14409807 0.76 CES2 (0.51) TDP1KDM4EALDH1A1MAPTNPC1
SCHEMBL30612325 0.74 ALDH1A1 (0.82) HPGDTDP1KDM4EALDH1A1MAPT
SCHEMBL4481328 0.74 ALDH1A1 (0.82) HPGDTDP1KDM4EALDH1A1MAPT
SCHEMBL31037131 0.74 ALDH1A1 (0.82) HPGDTDP1KDM4EALDH1A1MAPT
SCHEMBL5089818 0.73 TSHR (0.45) TDP1KDM4EALDH1A1MAPTNPC1
SCHEMBL23787472 0.73 NPC1 (0.60) HPGDTDP1KDM4EALDH1A1MAPT
SCHEMBL5242462 0.73 MAPK1 (0.46) HPGDKDM4EALDH1A1MAPTPRNP

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 HPGD 75/4885TDP1 1923/4885KDM4E 2028/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR HPGD 75/4885TDP1 1923/4885KDM4E 2028/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR HPGD 75/4885TDP1 1923/4885KDM4E 2028/4885

“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.

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