SCHEMBL18334602

SCHEMBL18334602

CN1C(COC2CN(C(=O)O)C2)C(N)C(=O)N1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ RBP4 P02753 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ ALOX5 P09917 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MT-CO2 P00403 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ G6PD P11413 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
SCHEMBL18334437 0.74 LMNA (0.38) LMNAABCB11PTGS1ALDH1A1ALOX5
SCHEMBL18334557 0.73 TSHR (0.39) ALDH1A1MEN1KMT2AGAA
SCHEMBL18334485 0.70 LMNA (0.35) LMNAABCB11PTGS1ALDH1A1KDM4E
SCHEMBL18334456 0.69 LMNA (0.35) LMNAABCB11PTGS1ALDH1A1KDM4E
SCHEMBL18334448 0.68 LMNA (0.36) LMNAABCB11PTGS1ALDH1A1ALOX5
SCHEMBL18334488 0.68 LMNA (0.36) LMNAABCB11PTGS1ALDH1A1KDM4E
SCHEMBL18334535 0.68 LMNA (0.36) LMNAABCB11PTGS1ALDH1A1KMT2A
SCHEMBL18334516 0.67 LMNA (0.34) LMNAABCB11PTGS1ALDH1A1ALOX5
SCHEMBL18334461 0.66 MTNR1A (0.40) LMNAPTGS1ALDH1A1GAAMAPT
SCHEMBL9616703 0.66 LOX (0.41) LMNAABCB11PTGS1ALDH1A1MEN1

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 HCRTR2 4653/4885LMNA 4165/4885ABCB11 15/4885

“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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