SCHEMBL6476570

SCHEMBL6476570

O=c1[nH]nc(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.53
GNRHR P30968 2/20 0.42
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 4/20 0.37
GAA P10253 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL6477086 0.87 AR (0.51) ARGNRHRALDH1A1NPC1RAB9A
SCHEMBL6476891 0.70 AR (0.47) ARGNRHRALDH1A1L3MBTL1GAA
SCHEMBL6477952 0.69 GNRHR (0.52) ARGNRHR
SCHEMBL16433913 0.67 GAA (0.46) ALDH1A1NPC1RAB9AL3MBTL1GAA
SCHEMBL23071306 0.67 ALDH1A1 (0.40) ALDH1A1NPC1POLB
SCHEMBL8603151 0.66 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AL3MBTL1GAA
SCHEMBL9696181 0.66 GSK3A (0.44) ALDH1A1NPC1RAB9AL3MBTL1GAA
SCHEMBL28335110 0.66 NPC1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1HSP90AA1
SCHEMBL8178332 0.65 GSK3A (0.50) ALDH1A1NPC1RAB9AL3MBTL1GAA
SCHEMBL3520528 0.65 L3MBTL1 (0.66) ALDH1A1NPC1RAB9AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR AR 57/4885GNRHR 1/4885ALDH1A1 2856/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR AR 50/4885GNRHR 1/4885ALDH1A1 3063/4885

“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.