SCHEMBL18334495

SCHEMBL18334495

COC(CNC(=O)C(F)(F)F)C1C(N)C(=O)N(c2ccccc2)N1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ELANE P08246 5/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MTNR1A P48039 3/20 0.30
▸ MTNR1B P49286 3/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ NQO2 P16083 1/20 0.30
▸ POLB P06746 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
SCHEMBL18334499 0.87 GAA (0.33) GAAALDH1A1LMNAELANEMTNR1A
SCHEMBL18334565 0.87 GAA (0.33) GAAALDH1A1LMNAELANEMTNR1A
SCHEMBL18334469 0.87 GAA (0.33) GAAALDH1A1LMNAELANEMTNR1A
SCHEMBL18334510 0.76 GAA (0.32) GAAALDH1A1KDM4EELANE
SCHEMBL18334461 0.75 MTNR1A (0.40) GAAALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL18334436 0.73 KDM4E (0.34) GAAALDH1A1KDM4ELMNAELANE
SCHEMBL18334587 0.72 ESR1 (0.41) GAAALDH1A1LMNAELANE
SCHEMBL18334440 0.71 CHRM2 (0.34) ELANE
SCHEMBL18334505 0.71 CHRM2 (0.32) LMNAELANE
SCHEMBL18015895 0.69 LMNA (0.36) GAAALDH1A1KDM4ELMNA

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
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 — — EP disclosed
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 — — CN 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL GAA 2530/4885ALDH1A1 2821/4885KDM4E 1929/4885

“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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