SCHEMBL20007389

SCHEMBL20007389

CN(C(=O)C(N)Cc1cc(F)cc(F)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GPX4 P36969 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTNNB1 P35222 2/20 0.38
AOC3 Q16853 1/20 0.38
GAA P10253 2/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL18180402 1.00 LMNA (0.41) LMNAHTTGPX4L3MBTL1ALDH1A1
SCHEMBL18179956 0.81 CIT (0.37) LMNAALDH1A1BACE1MAPTMEN1
SCHEMBL21992662 0.81 PTGS1 (0.41) LMNAHTTGPX4L3MBTL1ALDH1A1
SCHEMBL16671758 0.79 HPGD (0.49) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL6450022 0.79 HPGD (0.49) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL29679416 0.79 HPGD (0.49) LMNAHTTALDH1A1NPSR1HPGD
SCHEMBL18180390 0.79 CTSS (0.43) LMNAHTTALDH1A1POLBNPSR1
SCHEMBL20007119 0.79 CTSS (0.43) LMNAHTTALDH1A1POLBNPSR1
SCHEMBL18181357 0.79 CIT (0.36) LMNAALDH1A1NPSR1CTSDBACE1
SCHEMBL18181044 0.79 CIT (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H LMNA 3667/4885HTT 3002/4885GPX4 3271/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H LMNA 3667/4885HTT 3002/4885GPX4 3271/4885

“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.