SCHEMBL4689963

SCHEMBL4689963

CC(C)C(=O)Nc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALOX12 P18054 1/20 0.39
CNR2 P34972 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
APP P05067 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
IDH1 O75874 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36

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
SCHEMBL14259962 0.87 CNR2 (0.40) KDM4EALOX12CNR2MAPTLMNA
SCHEMBL4749255 0.85 IDH1 (0.37) KDM4EALOX12CNR2LMNAHTT
SCHEMBL4651038 0.84 MMP2 (0.38) KDM4EALOX12CNR2MAPTLMNA
SCHEMBL14473915 0.83 KDM4E (0.38) KDM4EALOX12CNR2MAPTLMNA
SCHEMBL14269685 0.83 KDM4E (0.44) KDM4ECNR2MAPTLMNAHSP90AA1
SCHEMBL4696096 0.82 COMT (0.38) KDM4EALOX12CNR2MAPTLMNA
SCHEMBL13943859 0.82 KDM4E (0.42) KDM4ECNR2MAPTLMNAHSP90AA1
SCHEMBL14384708 0.82 KDM4E (0.39) KDM4EALOX12CNR2MAPTLMNA
SCHEMBL4694618 0.82 KDM4E (0.40) KDM4EALOX12CNR2MAPTLMNA
SCHEMBL14424204 0.81 KDM4E (0.41) KDM4EALOX12CNR2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 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 (1 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS KDM4E 1723/4885ALOX12 4065/4885CNR2 4717/4885

“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.