SCHEMBL18179929

SCHEMBL18179929

COc1cc(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
CIT O14578 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 2/20 0.44
METAP2 P50579 1/20 0.43
KDM4E B2RXH2 1/20 0.43
OPRK1 P41145 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28119603 0.83 L3MBTL1 (0.42) L3MBTL1MAPK1ALDH1A1METAP2KDM4E
SCHEMBL18180135 0.83 CIT (0.52) MAPK1CITALPIPKMPTGS1
SCHEMBL30659096 0.83 CIT (0.52) MAPK1CITALPIPKMPTGS1
SCHEMBL16669866 0.83 CIT (0.52) MAPK1CITALPIPKMPTGS1
SCHEMBL16669867 0.83 CIT (0.52) MAPK1CITALPIPKMPTGS1
SCHEMBL16670762 0.82 NPC1 (0.47) ALDH1A1
SCHEMBL16669849 0.81 ALPI (0.58) CITALPIPKMPTGS1XIAP
SCHEMBL16669850 0.81 ALPI (0.58) CITALPIPKMPTGS1XIAP
SCHEMBL18179898 0.78 SLC7A5 (0.42) CITAAK1ALPIPKMPTGS1
SCHEMBL20427698 0.77 ACE (0.52)

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
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E L3MBTL1 2230/4885MAPK1 2073/4885CIT 1229/4885

“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.