SCHEMBL21572162

SCHEMBL21572162

COc1cc2cc(C(=O)/C(C#N)=C/N(C)C)n(SI)c2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL20084024 0.90 HPGD (0.34) HPGDNPSR1MAPTRECQLRAB9A
SCHEMBL21572424 0.85 MAPT (0.31) MAPTALDH1A1
SCHEMBL20084855 0.82 RAB9A (0.31) RAB9ANPC1
SCHEMBL20085113 0.80 — —
SCHEMBL18331797 0.80 ALOX5 (0.35) HPGDNPSR1MAPTALDH1A1
SCHEMBL20084762 0.78 HPGD (0.35) HPGDNPSR1MAPTRECQLRAB9A
SCHEMBL20084656 0.78 — —
SCHEMBL20084249 0.78 POLB (0.34) HPGDNPSR1MAPTRECQLRAB9A
SCHEMBL20084768 0.77 — —
SCHEMBL21970716 0.76 HPGD (0.35) HPGDNPSR1MAPTRECQLRAB9A

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-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 HPGD 4029/4885NPSR1 2136/4885MAPT 3267/4885

“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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