Sugi Predict

Sugi Predict / Compounds / SCHEMBL9939322

SCHEMBL9939322

SCHEMBL9939322

O=C(O)c1ccc(-c2cc3ccc(O)cc3cc2F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.44
▸ ESR2 Q92731 6/20 0.44
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RARA P10276 2/20 0.38
▸ RARB P10826 2/20 0.38
▸ RARG P13631 2/20 0.38
▸ MIF P14174 1/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ EIF4E P06730 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ SRD5A2 P31213 2/20 0.37
▸ TTR P02766 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
SCHEMBL9939086 0.83 KDM4E (0.58) TSHRMEN1RAB9AKMT2AMRGPRX4
SCHEMBL9939594 0.80 ESR2 (0.71) ESR1ESR2TSHRMEN1NPC1
SCHEMBL9939195 0.80 MIF (0.53) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL9938158 0.77 MIF (0.53) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL9938410 0.77 ESR2 (0.71) ESR1ESR2MEN1KMT2ARARB
SCHEMBL16216022 0.76 ESR1 (0.51) ESR1ESR2TSHRRARARARB
SCHEMBL2769863 0.75 TSHR (0.71) TSHRSRD5A2TTR
SCHEMBL26794968 0.74 MEN1 (0.61) MEN1NPC1RAB9AKMT2ARARB
Hydrochloric Acid SCHEMBL9812972 0.74 TSHR (0.68) TSHRSRD5A2TTR
SCHEMBL44327 0.74 MEN1 (0.66) ESR1ESR2TSHRMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 — — US claimed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 — — EP claimed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 — — US claimed
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 — — CN claimed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 — — WO claimed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 — — US disclosed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 — — US disclosed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 — — US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 — — US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 — — US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 — — US disclosed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 — — EP disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 — — US disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 — — US disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 — — US disclosed
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 — — CN disclosed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 — — WO disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 — — WO disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 — — 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 (2 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-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885TSHR 1629/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885TSHR 1629/4885

“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.