SCHEMBL21629976

SCHEMBL21629976

CC1(C)C(=O)N(c2cccnc2)c2cccc(Br)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
ELANE P08246 1/20 0.49
HTT P42858 2/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
RAB9A P51151 2/20 0.37
HSD17B3 P37058 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 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
SCHEMBL31591806 1.00 AR (0.51) ARELANEHTTGAAMAPT
SCHEMBL31591784 0.85 AR (0.45) ARELANEMAPTMAPK1ALDH1A1
SCHEMBL21630003 0.85 AR (0.45) ARELANEMAPTMAPK1ALDH1A1
SCHEMBL21630040 0.81 LMNA (0.36) ARELANEL3MBTL1RAB9A
SCHEMBL31591921 0.81 LMNA (0.36) ARELANEL3MBTL1RAB9A
SCHEMBL21629932 0.81 PGR (0.38) ARCYP11B2
SCHEMBL31591807 0.81 PGR (0.38) ARCYP11B2
SCHEMBL29374696 0.80 ELANE (0.32) ELANEALDH1A1
SCHEMBL21629966 0.77 MGLL (0.34) ARELANEHTTPOLB
SCHEMBL31591791 0.77 MGLL (0.34) ARELANEHTTPOLB

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
EP-3818052-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS Gilead Sciences, Inc. (US) 2021-05-12 EP disclosed
CN-112384505-A Therapeutic heterocyclic compounds 吉利德科学公司 2021-02-19 CN disclosed
US-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 US disclosed
US-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2020-01-30 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-20200031801-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS SDHA, SLC10A1, CYP11B2 AR 2544/4885ELANE 114/4885HTT 485/4885

“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.