SCHEMBL5080731

SCHEMBL5080731

CC(C)Cc1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)(C)O)cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.82
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL6545383 0.90 GNRHR (1.00) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7827346 0.90 GNRHR (0.99) GNRHRMEN1KMT2A
SCHEMBL5074740 0.89 GNRHR (0.73) GNRHRMEN1KMT2A
SCHEMBL5076165 0.89 GNRHR (0.66) GNRHRMEN1KMT2A
SCHEMBL5076166 0.88 GNRHR (0.69) GNRHRMEN1KMT2A
SCHEMBL5076715 0.88 GNRHR (0.69) GNRHRMEN1KMT2A
SCHEMBL7827375 0.88 GNRHR (0.85) GNRHRMEN1KMT2A
SCHEMBL7829165 0.85 GNRHR (0.84) GNRHRMEN1KMT2A
SCHEMBL8152088 0.83 GNRHR (0.84) GNRHRMEN1KMT2A
SCHEMBL7827279 0.83 GNRHR (0.85) GNRHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207524-A1 MEDICINAL PREPARATIONS FOR TREATING SEX HORMONE-DEPENDENT DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20030176360-A1 Medicinal preparations for treating sex hormone-dependent diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-09-18 US disclosed
EP-1297850-A1 MEDICINAL PREPARATIONS FOR TREATING SEX HORMONE-DEPENDENT DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-04-02 EP 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-20080207524-A1 MEDICINAL PREPARATIONS FOR TREATING SEX HORMONE-DEPENDENT DISEASES SHBG, GNRHR, NR5A1 GNRHR 2/4885MEN1 161/4885KMT2A 758/4885
US-20030176360-A1 Medicinal preparations for treating sex hormone-dependent diseases SHBG, GNRHR, NR5A1 GNRHR 2/4885MEN1 161/4885KMT2A 758/4885

“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.