SCHEMBL24185043

SCHEMBL24185043

CC(C)c1cc(CC(C)c2cnccn2)ncn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21186477 0.85 — —
SCHEMBL24714980 0.84 — —
SCHEMBL26396496 0.78 CYP2D6 (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL24517542 0.77 — —
SCHEMBL22639289 0.77 ESR1 (0.36) KDM4EALDH1A1SMN1; SMN2
SCHEMBL26676319 0.76 ESR1 (0.33) KDM4EALDH1A1SMN1; SMN2
SCHEMBL12120618 0.75 NOS3 (0.36) —
SCHEMBL25925686 0.74 KDM5A (0.38) —
SCHEMBL23791580 0.73 CYP2C19 (0.31) —
SCHEMBL29738290 0.72 — —

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-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2022-01-13 — — 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-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A KDM4E 3391/4885ALDH1A1 3205/4885SMN1; SMN2 252/4885

“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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