SCHEMBL18334436

SCHEMBL18334436

CC(CNC(=O)C(F)(F)F)C1C([N+](=O)[O-])C(=O)N(c2ccccc2)N1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ ABCB11 O95342 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ ELANE P08246 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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 0.83 GAA (0.33) ABCB11LMNAPTGS1ELANESMN1; SMN2
SCHEMBL18334565 0.83 GAA (0.33) ABCB11LMNAPTGS1ELANESMN1; SMN2
SCHEMBL18334469 0.83 GAA (0.33) ABCB11LMNAPTGS1ELANESMN1; SMN2
SCHEMBL18334421 0.80 MTNR1A (0.37) KDM4EABCB11LMNAPTGS1SMN1; SMN2
SCHEMBL18334463 0.79 ESR1 (0.34) ABCB11LMNAPTGS1ELANESMN1; SMN2
SCHEMBL18334537 0.74 GAA (0.37) ALDH1A1GAAHCRTR2OPRD1KMT2A
SCHEMBL18334495 0.73 GAA (0.33) KDM4ELMNAELANEALDH1A1GAA
SCHEMBL18334510 0.67 GAA (0.32) KDM4EELANESMN1; SMN2ALDH1A1GAA
SCHEMBL18768144 0.67 MAPT (0.42) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL18334461 0.67 MTNR1A (0.40) LMNAPTGS1ALDH1A1HPGDGAA

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 2 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

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 KDM4E 1929/4885ABCB11 15/4885LMNA 4165/4885

“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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