SCHEMBL6428486

SCHEMBL6428486

C[C@H](NC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OCCC(N)=O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
LMNA P02545 2/20 0.33
CAPN1 P07384 1/20 0.33
CTSB P07858 1/20 0.33
MAPK1 P28482 12/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
HPGD P15428 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL13927747 0.92 MAPK1 (0.38) SCN9ALMNACAPN1CTSBMAPK1
SCHEMBL6426817 0.92 MAPK1 (0.34) SCN9ALMNACAPN1CTSBMAPK1
SCHEMBL6426733 0.90 LMNA (0.32) LMNACAPN1CTSBMAPK1JAK2
SCHEMBL5034298 0.88 SCN9A (0.36) SCN9ALMNACAPN1CTSBMAPK1
SCHEMBL4139333 0.85 TRPA1 (0.32) JAK2
SCHEMBL4139328 0.85 TRPA1 (0.32) JAK2
SCHEMBL5032386 0.85 LMNA (0.35) SCN9ALMNACAPN1CTSBMAPK1
SCHEMBL6428642 0.85 DCAF1 (0.40) MAPK1
SCHEMBL4153253 0.84 LMNA (0.38) LMNAHPGD
SCHEMBL4153260 0.84 LMNA (0.38) LMNAHPGD

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SCN9A 2678/4885LMNA 3498/4885CAPN1 4435/4885

“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.