SCHEMBL18334530

SCHEMBL18334530

CCOC(=O)CCCC1C(N)C(=O)N(c2ccccc2)N1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.41
▸ GAA P10253 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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 0.80 LMNA (0.36) KDM4ECYP2C19ALDH1A1MAPTHPGD
SCHEMBL18334521 0.79 CYP1A2 (0.41) GAACYP2C19ALDH1A1
SCHEMBL18334535 0.79 LMNA (0.36) KMT2ACYP2C19ALDH1A1MAPTHPGD
SCHEMBL18334485 0.77 LMNA (0.35) GAAKDM4ECYP2C19ALDH1A1MAPT
SCHEMBL18334456 0.74 LMNA (0.35) KDM4ECYP2C19ALDH1A1MAPTHPGD
SCHEMBL18334461 0.70 MTNR1A (0.40) GAACYP2C19ALDH1A1MAPTHPGD
SCHEMBL11714254 0.67 TNF (0.57) TNFGAAKDM4EKMT2AALDH1A1
SCHEMBL9616703 0.66 LOX (0.41) GAAKMT2ACYP2C19ALDH1A1MAPT
SCHEMBL18334516 0.65 LMNA (0.34) CYP2C19ALDH1A1MAPTHPGDALOX5
Toluene SCHEMBL28096369 0.65 CYP4F2 (0.61) KMT2ACYP2C19CYP4F2CYP4A11ALDH1A1

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 TNF 4490/4885GAA 2530/4885KDM4E 1929/4885

“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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