SCHEMBL245612

SCHEMBL245612

Cc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSIP1 O75475 1/20 0.36
KDM4E B2RXH2 2/20 0.36
DHODH Q02127 4/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
TACR3 P29371 1/20 0.34
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL245613 1.00 RAB9A (0.40) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL245614 1.00 RAB9A (0.40) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL244906 0.92 NPC1 (0.37) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL244904 0.92 NPC1 (0.37) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL244905 0.92 NPC1 (0.37) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL245838 0.90 PSIP1 (0.36) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL245836 0.90 PSIP1 (0.36) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL245837 0.90 PSIP1 (0.36) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL245733 0.90 PSD (0.35) RAB9AL3MBTL1NPC1TDP1PSIP1
SCHEMBL245735 0.90 PSD (0.35) RAB9AL3MBTL1NPC1TDP1PSIP1

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 9 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-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US 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
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 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.