SCHEMBL12378400

SCHEMBL12378400

CNC(=O)c1c2c(c(OCc3ccc(OC)cc3)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.37
ANO1 Q5XXA6 1/20 0.35
FFAR1 O14842 1/20 0.34
CNR2 P34972 4/20 0.34
MAPT P10636 2/20 0.34
CSF1R P07333 1/20 0.34
THRB P10828 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
RCE1 Q9Y256 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL12378434 0.93 LIPG (0.35) LIPGANO1FFAR1CNR2MAPT
SCHEMBL12378386 0.93 LIPG (0.35) LIPGANO1FFAR1CNR2MAPT
SCHEMBL13624054 0.93 SCN9A (0.38) LIPGANO1FFAR1CNR2MAPT
SCHEMBL12378387 0.92 ANO1 (0.41) LIPGANO1FFAR1GRM2LMNA
SCHEMBL12378422 0.92 MAPT (0.37) LIPGANO1CNR2MAPTTHRB
SCHEMBL13624053 0.91 GRM2 (0.39) LIPGANO1FFAR1GAAGRM2
SCHEMBL12378402 0.91 LIPG (0.36) LIPGANO1FFAR1CNR2MAPT
SCHEMBL12378424 0.91 CNR2 (0.38) LIPGANO1FFAR1CNR2MAPT
SCHEMBL12378378 0.90 SLC2A1 (0.35) LIPGANO1FFAR1CNR2THRB
SCHEMBL13624038 0.89 CNR2 (0.35) LIPGANO1FFAR1CNR2MAPT

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-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 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 (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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS LIPG 2233/4885ANO1 4694/4885FFAR1 4666/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI LIPG 2306/4885ANO1 4619/4885FFAR1 4589/4885

“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.