SCHEMBL12378434

SCHEMBL12378434

COc1ccc(COc2c3c(c(C(=O)NNC(C)=O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.35
CNR2 P34972 4/20 0.34
ABHD6 Q9BV23 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
CNR1 P21554 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
FFAR1 O14842 1/20 0.33
GRM2 Q14416 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
PRKAA2 P54646 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TRPC6 Q9Y210 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
SCHEMBL12378400 0.93 LIPG (0.37) LIPGCNR2ABHD6ANO1MAPT
SCHEMBL12378386 0.91 LIPG (0.35) LIPGCNR2ABHD6ANO1MAPT
SCHEMBL13624054 0.90 SCN9A (0.38) LIPGCNR2ABHD6ANO1MAPT
SCHEMBL12378387 0.90 ANO1 (0.41) LIPGANO1FFAR1GRM2LMNA
SCHEMBL12378422 0.90 MAPT (0.37) LIPGCNR2ABHD6ANO1CNR1
SCHEMBL13624053 0.89 GRM2 (0.39) LIPGANO1FFAR1GRM2GAA
SCHEMBL12378402 0.89 LIPG (0.36) LIPGCNR2ABHD6ANO1MAPT
SCHEMBL12378424 0.88 CNR2 (0.38) LIPGCNR2ABHD6ANO1CNR1
SCHEMBL12378415 0.88 TRPC6 (0.39) MAPTLMNAPRKAA2TRPC6
SCHEMBL12378413 0.88 SMN1; SMN2 (0.35) ANO1MAPTKMT2ALMNATP53

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 2233/4885CNR2 4717/4885ABHD6 3728/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI LIPG 2306/4885CNR2 4794/4885ABHD6 3617/4885

“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.