SCHEMBL9939296

SCHEMBL9939296

Cc1cc2cc(OCc3ccccc3)ccc2cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.59
NR4A2 P43354 2/20 0.58
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.55
SRD5A2 P31213 2/20 0.54
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PLA2G4B P0C869 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MAOB P27338 1/20 0.49
GSTP1 P09211 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.48
PTGER1 P34995 1/20 0.48

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
SCHEMBL9939233 0.90 PTPN7 (0.55) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL9394698 0.88 NR4A2 (0.64) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL9939552 0.83 EGFR (0.58) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL9394690 0.83 NR4A2 (0.64) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL4258805 0.81 MRGPRX4 (0.76) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL5921632 0.80 MRGPRX4 (0.76) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL9939026 0.80 P2RY14 (0.60) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL6342568 0.79 NR4A2 (0.71) P2RY14NR4A2NR4A1NR4A3MRGPRX4
Hydrochloric Acid SCHEMBL8380168 0.79 MRGPRX4 (0.74) P2RY14NR4A2NR4A1NR4A3MRGPRX4
SCHEMBL9939319 0.79 PTPN7 (0.56) P2RY14MRGPRX4SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 P2RY14 4423/4885NR4A2 524/4885NR4A1 643/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR P2RY14 4423/4885NR4A2 524/4885NR4A1 643/4885

“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.