SCHEMBL9848797

SCHEMBL9848797

CC(C)(C)OC(=O)NC(CO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ALOX5 P09917 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.47
CYP26A1 O43174 1/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NR3C2 P08235 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
SCHEMBL9848801 1.00 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848805 1.00 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL31226878 1.00 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL666435 0.91 MAPT (0.49) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL6676599 0.91 MAPT (0.51) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL28706418 0.89 MAPT (0.53) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL27848522 0.89 MAPT (0.50) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL665500 0.89 MAPT (0.47) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL1374453 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL16199337 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820021-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-11-30 EP disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
CN-104136441-A Gonadotropin-releasing hormone receptor antagonists, process for their preparation and pharmaceutical compositions comprising them SK CHEMICALS CO LTD 2014-11-05 CN disclosed
WO-2013129879-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-09-06 WO disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP 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 (1 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR MAPT 675/4885SMN1; SMN2 1582/4885ALOX5 1131/4885

“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.