SCHEMBL3871639

SCHEMBL3871639

COCCNC(=O)c1cc(C(=O)OC)c2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GPR52 Q9Y2T5 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2B Q13224 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL14223389 0.96 KDM4E (0.40) MAPTGPR52MAPK1KDM4EHSD17B10
SCHEMBL3870530 0.91 KDM4E (0.47) MAPTGPR52KDM4EHSD17B10LMNA
SCHEMBL3867850 0.89 MAPT (0.41) MAPTGPR52KDM4EHSD17B10LMNA
SCHEMBL3876245 0.89 LMNA (0.40) MAPTGPR52MAPK1KDM4EHSD17B10
SCHEMBL3869377 0.89 LMNA (0.41) MAPTGPR52KDM4EHSD17B10LMNA
SCHEMBL13850745 0.89 MAPT (0.39) MAPTGPR52KDM4EHSD17B10LMNA
SCHEMBL3867217 0.88 GPR52 (0.40) MAPTGPR52KDM4EHSD17B10LMNA
SCHEMBL3866561 0.88 MAPT (0.38) MAPTGPR52KDM4EHSD17B10LMNA
SCHEMBL14223388 0.88 L3MBTL1 (0.42) MAPTGPR52MAPK1KDM4EHSD17B10
SCHEMBL13851055 0.88 GPR52 (0.38) MAPTGPR52KDM4EHSD17B10LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-1541558-B1 HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-08-13 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP 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 (3 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885GPR52 2516/4885MAPK1 1250/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885GPR52 2534/4885MAPK1 1256/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885GPR52 2516/4885MAPK1 1250/4885

“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.