SCHEMBL18334485

SCHEMBL18334485

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 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
▸ CYP2C19 P33261 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
▸ CNR2 P34972 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL18334488 0.93 LMNA (0.36) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334535 0.91 LMNA (0.36) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334461 0.87 MTNR1A (0.40) LMNAPTGS1ALDH1A1CYP3A4MAPT
SCHEMBL18334503 0.81 LMNA (0.34) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334437 0.79 LMNA (0.38) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334456 0.79 LMNA (0.35) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334557 0.78 TSHR (0.39) ALDH1A1TSHRGAA
SCHEMBL18334448 0.78 LMNA (0.36) LMNAPTGS1ABCB11ALDH1A1CYP3A4
SCHEMBL18334530 0.77 TNF (0.41) ALDH1A1MAPTCYP2C19HPGDKDM4E
SCHEMBL18334425 0.73 MTNR1A (0.38) LMNAPTGS1ALDH1A1CYP3A4MAPT

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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