SCHEMBL24529430

SCHEMBL24529430

CCNC(c1ccc(OC)c(Br)n1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSA P10619 2/20 0.32
S1PR1 P21453 1/20 0.32
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24387233 0.80 PGK1 (0.38) PGK1CTSAGLASMN1; SMN2
SCHEMBL24529293 0.80
SCHEMBL24529225 0.74 HTR2A (0.34) PGK1
SCHEMBL29723691 0.74 HTR2A (0.34) PGK1
SCHEMBL29723721 0.73 MAPT (0.37) GLASMN1; SMN2
SCHEMBL24529206 0.73 MAPT (0.37) GLASMN1; SMN2
SCHEMBL29723681 0.71 HTR2A (0.32) S1PR1
SCHEMBL26650250 0.71 GBA1 (0.37) SMN1; SMN2
SCHEMBL26650249 0.71 GBA1 (0.37) SMN1; SMN2
SCHEMBL18611232 0.70 NQO2 (0.37) CTSASMN1; SMN2

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
EP-4262788-B1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 US disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 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 (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-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R PGK1 4321/4885CTSS 1296/4885CTSK 1499/4885

“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.