SCHEMBL18334535

SCHEMBL18334535

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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 0.96 LMNA (0.36) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334485 0.91 LMNA (0.35) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334461 0.79 MTNR1A (0.40) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334456 0.78 LMNA (0.35) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334437 0.76 LMNA (0.38) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334557 0.75 TSHR (0.39) ALDH1A1L3MBTL1KMT2A
SCHEMBL18334448 0.75 LMNA (0.36) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334503 0.74 LMNA (0.34) LMNAALDH1A1HPGDCYP3A4PTGS1
SCHEMBL18334587 0.68 ESR1 (0.41) LMNAALDH1A1PTGS1ABCB11SMN1; SMN2
SCHEMBL18334602 0.68 HCRTR2 (0.32) LMNAALDH1A1PTGS1MAPTABCB11

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 4165/4885ALDH1A1 2821/4885HPGD 4083/4885

“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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