SCHEMBL17789672

SCHEMBL17789672

[2H]C([2H])([2H])N(CCNC(C)=O)C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)c(C=C(C)C)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 14/20 0.39
▸ RAD52 P43351 1/20 0.32

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
SCHEMBL17789661 0.92 NR1H4 (0.32) NR1H4
SCHEMBL17789663 0.91 RAD52 (0.37) NR1H4RAD52
SCHEMBL22626505 0.89 NR1H4 (0.38) NR1H4RAD52
SCHEMBL16377775 0.87 RAD52 (0.36) NR1H4RAD52
SCHEMBL17789665 0.87 NR1H4 (0.30) NR1H4
SCHEMBL22626243 0.87 NR1H4 (0.33) NR1H4
SCHEMBL16377948 0.87 NR1H4 (0.33) NR1H4
SCHEMBL17789657 0.86 — —
SCHEMBL16377938 0.86 RAD52 (0.35) NR1H4RAD52
SCHEMBL17789646 0.85 NR1H4 (0.31) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — 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 (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-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR NR1H4 857/4885RAD52 4685/4885

“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.

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