SCHEMBL6476149

SCHEMBL6476149

O=c1[nH]c(=O)n(Cc2c(F)cccc2F)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KCNK3 O14649 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RORC P51449 1/20 0.39
BUB1 O43683 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CXCR2 P25025 1/20 0.38
XDH P47989 1/20 0.38
LMNA P02545 1/20 0.37
GBA1 P04062 1/20 0.37
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL30928935 0.81 ALDH1A1 (0.57) ALDH1A1NPSR1L3MBTL1KMT2AMEN1
SCHEMBL6476952 0.79 GRIA1 (0.43) ALDH1A1KCNK3KMT2AMEN1
SCHEMBL1739756 0.69 STIM1 (0.42) RORC
SCHEMBL6476129 0.68 ALDH1A1 (0.40) ALDH1A1NPSR1L3MBTL1KMT2AMEN1
SCHEMBL29195764 0.67 LMNA (0.50) ALDH1A1KMT2AMEN1LMNA
SCHEMBL6476891 0.65 AR (0.47) ALDH1A1L3MBTL1MAPK14KMT2AHTT
SCHEMBL2895520 0.64 NR1H2 (0.45) ALDH1A1L3MBTL1NPC1RAB9AXDH
SCHEMBL16968255 0.64 DAO (0.54) ALDH1A1NPSR1KMT2AMEN1LMNA
SCHEMBL15563840 0.64 DAO (0.54) ALDH1A1NPSR1KMT2AMEN1LMNA
SCHEMBL6615985 0.63 JAK2 (0.40) ALDH1A1L3MBTL1LMNAKDM4E

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 ALDH1A1 2856/4885NPSR1 26/4885L3MBTL1 4140/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR ALDH1A1 3063/4885NPSR1 26/4885L3MBTL1 3007/4885

“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.