SCHEMBL20580222

SCHEMBL20580222

CCOC(=O)c1nc(C2CC2)sc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ GAA P10253 3/20 0.42
▸ HSD17B10 Q99714 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL18395215 0.95 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL18395121 0.94 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL18395143 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EPIK3CAGAAHSD17B10
SCHEMBL20494864 0.86 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL18394620 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL18412850 0.82 PIK3CA (0.39) ALDH1A1KDM4EPIK3CAGAAHSD17B10
SCHEMBL20867219 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL18394319 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL28228798 0.81 PIK3CA (0.43) ALDH1A1KDM4EL3MBTL1PIK3CAGAA
SCHEMBL20098203 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1PIK3CAGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 — — US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 — — US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 — — US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 — — US disclosed
US-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-12-13 — — US disclosed
WO-2018226801-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2018-12-13 — — WO 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 (4 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-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS AHR, FURIN, CYP3A5 ALDH1A1 375/4885KDM4E 544/4885L3MBTL1 4727/4885
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 ALDH1A1 1328/4885KDM4E 892/4885L3MBTL1 4854/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 ALDH1A1 1328/4885KDM4E 892/4885L3MBTL1 4854/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 ALDH1A1 375/4885KDM4E 544/4885L3MBTL1 4727/4885

“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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