SCHEMBL245533

SCHEMBL245533

Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@@H](O)COC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CCR1 P32246 1/20 0.33

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
SCHEMBL245532 1.00 RAB9A (0.38) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL245534 1.00 RAB9A (0.38) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL243263 0.88 KMT2A (0.38) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL243264 0.88 KMT2A (0.38) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL243262 0.88 KMT2A (0.38) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL244057 0.85 NPC1 (0.36) RAB9AL3MBTL1NPC1TDP1GPR119
SCHEMBL244058 0.85 NPC1 (0.36) RAB9AL3MBTL1NPC1TDP1GPR119
SCHEMBL244056 0.85 NPC1 (0.36) RAB9AL3MBTL1NPC1TDP1GPR119
SCHEMBL15153913 0.84 GPR84 (0.40) RAB9AL3MBTL1NPC1TDP1KMT2A
SCHEMBL1699381 0.84 GPR84 (0.40) RAB9AL3MBTL1NPC1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 RAB9A 154/4885L3MBTL1 4380/4885NPC1 332/4885

“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.