SCHEMBL1975862

SCHEMBL1975862

NC(=O)c1cc[c]cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
CHUK O15111 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
METAP2 P50579 1/20 0.33
BCAT2 O15382 1/20 0.32
LCK P06239 2/20 0.32
ERN1 O75460 1/20 0.32
PARP1 P09874 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4116744 0.83 KDM4E (0.50) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL12970754 0.82 ALDH1A1 (0.38) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL1406514 0.80 ALDH1A1 (0.48) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL1893665 0.78 HPGD (0.41) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL29287448 0.78 MAPT (0.38) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL6292013 0.78 LMNA (0.33) KMT2ARECQL
SCHEMBL1712905 0.77 KMT2A (0.41) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL1196525 0.77 DGAT1 (0.46) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL17672876 0.77 SIRT3 (0.41) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL5928967 0.75 GAA (0.53) KDM4EALDH1A1HSD17B10HPGDKMT2A

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
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
WO-2016128905-A1 THIENOPYRROLE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-08-18 WO disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 US 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR KDM4E 1572/4885MAPT 3482/4885ALDH1A1 449/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR KDM4E 1572/4885MAPT 3482/4885ALDH1A1 449/4885

“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.