SCHEMBL12378404

SCHEMBL12378404

COc1ccc(COc2c3c(c(C(=O)N4CCOCC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NTRK1 P04629 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
CNR2 P34972 2/20 0.36
PRKDC P78527 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2B Q13224 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL12378415 0.94 TRPC6 (0.39) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL12378413 0.94 SMN1; SMN2 (0.35) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12378417 0.94 NPC1 (0.37) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12378388 0.93 KMT2A (0.37) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12378429 0.93 HPGD (0.37) HPGDSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL12378390 0.91 HPGD (0.36) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL12378420 0.88 CCNC (0.34) HPGDSMN1; SMN2NTRK1ALDH1A1MAPT
SCHEMBL12378387 0.88 ANO1 (0.41) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL13624053 0.87 GRM2 (0.39) GAA
SCHEMBL12378386 0.87 LIPG (0.35) MAPTGAACNR2

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 HPGD 989/4885SMN1; SMN2 3871/4885NTRK1 4015/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI HPGD 1087/4885SMN1; SMN2 3674/4885NTRK1 4334/4885

“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.