SCHEMBL12378413

SCHEMBL12378413

COc1ccc(COc2c3c(c(C(=O)N4CCC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TRPC6 Q9Y210 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PREP P48147 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
PRKAA2 P54646 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SCN9A Q15858 1/20 0.33
PDE1B Q01064 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
SCHEMBL12378417 0.98 NPC1 (0.37) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL12378388 0.98 KMT2A (0.37) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL12378429 0.95 HPGD (0.37) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL12378415 0.94 TRPC6 (0.39) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL12378404 0.94 HPGD (0.43) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL12378390 0.93 HPGD (0.36) SMN1; SMN2ALDH1A1LMNATP53KDM4E
SCHEMBL12378420 0.90 CCNC (0.34) SMN1; SMN2ALDH1A1LMNATP53KDM4E
SCHEMBL12378387 0.90 ANO1 (0.41) SMN1; SMN2LMNANPC1RAB9AHTT
SCHEMBL13624053 0.89 GRM2 (0.39) ANO1
SCHEMBL12378386 0.89 LIPG (0.35) TP53MAPTANO1

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 SMN1; SMN2 3871/4885ALDH1A1 2040/4885LMNA 907/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI SMN1; SMN2 3674/4885ALDH1A1 1220/4885LMNA 812/4885

“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.