SCHEMBL1740199

SCHEMBL1740199

O=c1[nH]c(=O)n(Cc2c(F)cccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIK5 Q16478 1/20 0.48
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.37
DAO P14920 1/20 0.36
POLB P06746 2/20 0.36
PDE4A P27815 1/20 0.35
PARP1 P09874 1/20 0.35
CASP6 P55212 1/20 0.35
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL5846928 0.79 HPGD (0.60) GRIA1GRIA2GRIA4GRIK5MAPK1
SCHEMBL12410811 0.79 MAPT (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13402918 0.77 MAPK1 (0.63) MAPK1HPGD
SCHEMBL125267 0.77 MEN1 (0.53) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL13384412 0.74 MAPK1 (0.41) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL22748998 0.73 GRIA1 (0.57) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL12410816 0.73 MMP13 (0.38) MAPK1HPGDDAOPDE4A
SCHEMBL12410770 0.72 MEN1 (0.38) MAPK1HPGDDAOPDE4A
SCHEMBL17243368 0.72 MAPK1 (0.40) MAPK1HPGDDAOPDE4A
SCHEMBL17243360 0.72 MAPK1 (0.40) MAPK1HPGDDAOPDE4ACA12

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-2390250-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK CHEMICALS CO LTD (KR) 2015-08-12 EP disclosed
EP-2390250-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK CHEMICALS CO LTD (KR) 2015-08-12 EP disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
EP-2390250-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Sk Chemicals Co., Ltd. (KR) 2011-11-30 EP disclosed
EP-2390250-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Sk Chemicals Co., Ltd. (KR) 2011-11-30 EP disclosed
WO-2011062437-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 에스케이케미칼주식회사 (KR) 2011-05-26 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 (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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR GRIA1 142/4885GRIA2 128/4885GRIA4 133/4885

“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.