SCHEMBL20101207

SCHEMBL20101207

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc4c(c3)c(N3CCN(C)CC3)cn4C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 1/20 0.32
BRD4 O60885 1/20 0.31
IDE P14735 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
MCHR1 Q99705 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31114924 1.00 MEN1 (0.34) MEN1MAPK10KMT2AHRH4BRD4
SCHEMBL22506323 0.93 PSIP1 (0.36) BRD4
SCHEMBL15342590 0.93 PSIP1 (0.36) BRD4
SCHEMBL15342181 0.90
SCHEMBL20101206 0.86 CNR1 (0.31)
SCHEMBL31114857 0.86 CNR1 (0.31)
SCHEMBL20101157 0.85 PSD (0.30) ALDH1A1LMNAMAPTTDP1
SCHEMBL31114889 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL15334414 0.84 CYP3A4 (0.32)
SCHEMBL15334410 0.84 CYP3A4 (0.32)

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-20210078991-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10800772-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-10-13 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 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 (3 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-10800772-B2 Therapeutic compounds NQO1, HAVCR2, CCR5 MEN1 3124/4885MAPK10 1419/4885KMT2A 4385/4885
US-20210078991-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MEN1 3124/4885MAPK10 1419/4885KMT2A 4385/4885
US-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MEN1 3124/4885MAPK10 1419/4885KMT2A 4385/4885

“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.