SCHEMBL18334437

SCHEMBL18334437

CN1C(CC(N)=O)C(N)C(=O)N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MT-CO2 P00403 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ HTT P42858 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL18334557 0.85 TSHR (0.39) ALDH1A1GAA
SCHEMBL18334485 0.79 LMNA (0.35) LMNAPTGS1ABCB11SMN1; SMN2ALDH1A1
SCHEMBL18334456 0.78 LMNA (0.35) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334488 0.77 LMNA (0.36) LMNAPTGS1ABCB11SMN1; SMN2ALDH1A1
SCHEMBL18334448 0.77 LMNA (0.36) LMNAPTGS1ABCB11MT-CO2ALOX5
SCHEMBL18334535 0.76 LMNA (0.36) LMNAPTGS1ABCB11SMN1; SMN2ALDH1A1
SCHEMBL18334516 0.76 LMNA (0.34) LMNAPTGS1ABCB11MT-CO2ALOX5
SCHEMBL18334602 0.74 HCRTR2 (0.32) LMNAPTGS1ABCB11MT-CO2ALOX5
SCHEMBL18334461 0.74 MTNR1A (0.40) LMNAPTGS1ALDH1A1CYP3A4CYP2C19
SCHEMBL9616703 0.73 LOX (0.41) LMNAPTGS1ABCB11SMN1; SMN2ALDH1A1

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 LMNA 4165/4885PTGS1 3238/4885ABCB11 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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