SCHEMBL13967752

SCHEMBL13967752

O=Cc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HSP90AA1 P07900 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 5/20 0.39
KAT2B Q92831 1/20 0.39
COMT P21964 3/20 0.39
PARP1 P09874 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ERN1 O75460 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL14269685 0.89 KDM4E (0.44) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL13943848 0.88 MAPT (0.42) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL13967522 0.87 CYP1A2 (0.39) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL12415951 0.87 KDM4E (0.42) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL13943859 0.86 KDM4E (0.42) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL13943857 0.85 KDM4E (0.41) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL14424204 0.85 KDM4E (0.41) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL4151010 0.84 KDM4E (0.41) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL13943890 0.84 TP53 (0.41) KDM4EHSP90AA1RAB9AKMT2ANPSR1
SCHEMBL4154630 0.84 KDM4E (0.41) KDM4EHSP90AA1RAB9AKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 KDM4E 1594/4885HSP90AA1 4751/4885RAB9A 3899/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885HSP90AA1 2805/4885RAB9A 2959/4885

“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.