SCHEMBL20580171

SCHEMBL20580171

NNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ DGAT1 O75907 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34

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
SCHEMBL18395657 0.84 KDM4E (0.47) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL18394865 0.82 F10 (0.38) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL18395298 0.79 KDM4E (0.46) KDM4EMAPTGAAALDH1A1MAPK1
SCHEMBL20580048 0.77 ALDH1A1 (0.47) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL18412878 0.74 PIK3CA (0.38) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL18412926 0.72 KDM4E (0.38) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL20369891 0.72 PIK3CD (0.40) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL18394877 0.71 KDM4E (0.45) KDM4EMAPTGAAALDH1A1MAPK1
SCHEMBL21024951 0.70 IRAK4 (0.52) SMN1; SMN2LRRK2PIK3CAPIK3CB
SCHEMBL18412940 0.70 F10 (0.36) LRRK2

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 4 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
WO-2018226801-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2018-12-13 — — WO disclosed
US-20180354912-A1 ARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-12-13 — — US 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 (2 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 KDM4E 544/4885MAPT 3156/4885GAA 1415/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 KDM4E 544/4885MAPT 3156/4885GAA 1415/4885

“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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