SCHEMBL21024658

SCHEMBL21024658

CCCC(C)c1ccc(C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
CYP2A6 P11509 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP19A1 P11511 2/20 0.34
AURKA O14965 1/20 0.33
GRK6 P43250 1/20 0.33
KCNJ1 P48048 2/20 0.33
KCNH2 Q12809 1/20 0.33
S1PR3 Q99500 1/20 0.33
PANK3 Q9H999 1/20 0.33
GABRA5 P31644 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CYP11B2 P19099 2/20 0.33
PTGER4 P35408 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
SCHEMBL26061393 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19853004 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL16311933 0.86 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19987500 0.85 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19003579 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19464638 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL25573950 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL2737290 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19059398 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL23742269 0.77 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT

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-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

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-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 KDM4E 892/4885ALDH1A1 1328/4885HPGD 546/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 KDM4E 892/4885ALDH1A1 1328/4885HPGD 546/4885

“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.