SCHEMBL18334516

SCHEMBL18334516

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NAPRT Q6XQN6 1/20 0.34
▸ MT-CO2 P00403 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18334587 0.77 ESR1 (0.41) LMNAPTGS1ALDH1A1ABCB11SMN1; SMN2
SCHEMBL18334437 0.76 LMNA (0.38) LMNAPTGS1ALDH1A1CYP3A4ABCB11
SCHEMBL18334456 0.73 LMNA (0.35) LMNAPTGS1ALDH1A1CYP3A4ABCB11
SCHEMBL18334448 0.72 LMNA (0.36) LMNAPTGS1ALDH1A1CYP3A4ABCB11
SCHEMBL18334557 0.70 TSHR (0.39) ALDH1A1
SCHEMBL18334485 0.69 LMNA (0.35) LMNAPTGS1ALDH1A1CYP3A4ABCB11
SCHEMBL18334488 0.68 LMNA (0.36) LMNAPTGS1ALDH1A1CYP3A4ABCB11
SCHEMBL18334602 0.67 HCRTR2 (0.32) LMNAPTGS1ALDH1A1ABCB11MAPT
SCHEMBL18334461 0.67 MTNR1A (0.40) LMNAPTGS1ALDH1A1CYP3A4CYP1A2
SCHEMBL18015895 0.67 LMNA (0.36) LMNAPTGS1ALDH1A1CYP3A4ABCB11

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 3238/4885ALDH1A1 2821/4885

“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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