SCHEMBL18334565

SCHEMBL18334565

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ PSEN1 P49768 3/20 0.32
▸ PSEN2 P49810 3/20 0.32
▸ APH1B Q8WW43 3/20 0.32
▸ NCSTN Q92542 3/20 0.32
▸ APH1A Q96BI3 3/20 0.32
▸ PSENEN Q9NZ42 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ ELANE P08246 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ NPY5R Q15761 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL18334499 1.00 GAA (0.33) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL18334469 1.00 GAA (0.33) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL18334495 0.87 GAA (0.33) GAAHCRTR2ELANELMNAMTNR1A
SCHEMBL18334436 0.83 KDM4E (0.34) GAASMN1; SMN2HCRTR2ELANELMNA
SCHEMBL18334510 0.81 GAA (0.32) GAASMN1; SMN2ELANENPY5RTP53
SCHEMBL18334505 0.81 CHRM2 (0.32) ELANELMNAABCB11PTGS1
SCHEMBL18334461 0.79 MTNR1A (0.40) GAALMNAPTGS1TP53MTNR1A
SCHEMBL18334537 0.78 GAA (0.37) GAAHCRTR2MTNR1AMTNR1BALDH1A1
SCHEMBL18334587 0.77 ESR1 (0.41) GAASMN1; SMN2ELANELMNAABCB11
SCHEMBL18334440 0.76 CHRM2 (0.34) ELANE

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 GAA 2530/4885PSEN1 4712/4885PSEN2 4724/4885

“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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