SCHEMBL6487755

SCHEMBL6487755

NC(Cn1nc(Cc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2Cl)c1=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.55
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL6490294 0.93 GNRHR (0.63) GNRHRCYP3A4
SCHEMBL6489446 0.93 GNRHR (0.62) GNRHRCYP3A4
SCHEMBL6486057 0.92 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL6483616 0.90 GNRHR (0.64) GNRHRCYP3A4
SCHEMBL6486267 0.89 GNRHR (0.48) GNRHRCYP3A4ALDH1A1TP53SMN1; SMN2
SCHEMBL6476173 0.88 GNRHR (0.59) GNRHR
SCHEMBL6486450 0.86 GNRHR (0.63) GNRHRCYP3A4
SCHEMBL6490080 0.86 GNRHR (0.58) GNRHRCYP3A4
SCHEMBL6484051 0.86 GNRHR (0.54) GNRHRCYP3A4TP53
SCHEMBL6485601 0.85 GNRHR (0.58) GNRHRCYP3A4

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 GNRHR 1/4885CYP3A4 1088/4885ALDH1A1 2856/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR GNRHR 1/4885CYP3A4 1352/4885ALDH1A1 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.