SCHEMBL20912613

SCHEMBL20912613

COC(=O)c1cc(F)c(NCc2ccc(OC)cc2OC)cc1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.46
▸ APLNR P35414 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ GAA P10253 4/20 0.42
▸ GLA P06280 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL20912632 0.92 MAPT (0.55) KDM4CAPLNRMAPTTAS1R3TAS1R1
SCHEMBL30296407 0.87 KDM4C (0.54) KDM4CKDM4EAPLNRMAPTTAS1R3
SCHEMBL31235860 0.86 KDM4C (0.51) KDM4CAPLNRMAPTTAS1R3TAS1R1
SCHEMBL31727432 0.84 HDAC1 (0.47) KDM4EMAPTGAAHSD17B10ALDH1A1
SCHEMBL31235833 0.83 KDM4C (0.48) KDM4CKDM4EAPLNRMAPTTAS1R3
SCHEMBL19728818 0.83 APLNR (0.49) KDM4CAPLNRMAPTTAS1R3TAS1R1
SCHEMBL20157358 0.80 KDM4C (0.60) KDM4CKDM4EAPLNRMAPTTAS1R3
SCHEMBL20157655 0.79 MAPT (0.55) KDM4CAPLNRMAPTTAS1R3TAS1R1
SCHEMBL22121210 0.78 ALDH1A1 (0.53) KDM4CKDM4EAPLNRMAPTGAA
SCHEMBL28273319 0.77 APLNR (0.54) KDM4CAPLNRMAPTGAAHSD17B10

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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 — — US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 — — 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 KDM4C 2085/4885KDM4E 2371/4885APLNR 644/4885

“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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