SCHEMBL18412924

SCHEMBL18412924

CNC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 6/20 0.36
▸ GAA P10253 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 3/20 0.34
▸ ATM Q13315 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ MTOR P42345 3/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ JAK2 O60674 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
SCHEMBL18395021 0.83 KDM4E (0.40) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18395158 0.78 KDM4E (0.33) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18412925 0.75 CFTR (0.33) —
SCHEMBL18412922 0.73 PIK3CA (0.36) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18394458 0.73 KDM4E (0.42) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL24612171 0.71 RECQL (0.36) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18412926 0.71 KDM4E (0.38) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18394800 0.68 KDM4E (0.43) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL20866963 0.66 PIK3CD (0.30) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL20866762 0.64 PIK3CA (0.30) PIK3CAMTOR

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — 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 (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-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 KDM4E 1198/4885ALDH1A1 621/4885MAPT 2157/4885

“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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