SCHEMBL6484994

SCHEMBL6484994

COc1cccc(-n2nc(Cc3ccccc3S(C)(=O)=O)c(=O)n(CC(N)c3ccccc3)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 18/20 0.51
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.37
S1PR4 O95977 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6487565 0.89 GNRHR (0.62) GNRHRCYP3A4
SCHEMBL6476190 0.87 GNRHR (0.62) GNRHRCYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL6487798 0.87 GNRHR (0.53) GNRHRMAPTSMN1; SMN2
SCHEMBL6477151 0.85 GNRHR (0.70) GNRHRCYP3A4LMNAKMT2ASMN1; SMN2
SCHEMBL6487480 0.85 GNRHR (0.53) GNRHRCYP3A4
SCHEMBL6477235 0.83 GNRHR (0.56) GNRHRCYP3A4
SCHEMBL6475915 0.83 GNRHR (0.51) GNRHRCYP3A4
SCHEMBL6476359 0.82 GNRHR (0.58) GNRHRCYP3A4
SCHEMBL6477028 0.82 GNRHR (0.73) GNRHRCYP3A4
SCHEMBL6486761 0.81 GNRHR (0.70) 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 4 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
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

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.