SCHEMBL18334587

SCHEMBL18334587

C[C@@H](CC1C(N)C(=O)N(c2ccccc2)N1C)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ELANE P08246 8/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CCKBR P32239 3/20 0.32
▸ ABCB11 O95342 1/20 0.31
▸ PTGS1 P23219 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
SCHEMBL18334463 0.83 ESR1 (0.34) ESR1KCNH2GAALMNAELANE
SCHEMBL18334461 0.80 MTNR1A (0.40) GAALMNAALDH1A1PTGS1
SCHEMBL18334516 0.77 LMNA (0.34) LMNASMN1; SMN2ALDH1A1ABCB11PTGS1
SCHEMBL18334565 0.77 GAA (0.33) GAALMNAELANESMN1; SMN2ALDH1A1
SCHEMBL18334499 0.77 GAA (0.33) GAALMNAELANESMN1; SMN2ALDH1A1
SCHEMBL18334543 0.77 GAA (0.40) ESR1KCNH2GAALMNAELANE
SCHEMBL18334469 0.77 GAA (0.33) GAALMNAELANESMN1; SMN2ALDH1A1
SCHEMBL18334510 0.74 GAA (0.32) GAAELANESMN1; SMN2ALDH1A1
SCHEMBL18334437 0.72 LMNA (0.38) GAALMNASMN1; SMN2ALDH1A1ABCB11
SCHEMBL18334557 0.72 TSHR (0.39) KCNH2GAAALDH1A1

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 ESR1 3521/4885KCNH2 1048/4885GAA 2530/4885

“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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