SCHEMBL4904131

SCHEMBL4904131

CCOC(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MPI P34949 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TACR1 P25103 3/20 0.35
KAT2B Q92831 1/20 0.35
KDM4E B2RXH2 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 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
SCHEMBL4692508 0.83 COMT (0.38) CNR2MAPTKMT2AHTTRAB9A
SCHEMBL5649171 0.81 KMT2A (0.40) CNR2TSHRMAPTKMT2AHTT
SCHEMBL4694444 0.80 TSHR (0.41) CNR2TSHRMAPTKMT2AHTT
SCHEMBL14573796 0.75 KAT2B (0.37) CNR2MAPTTACR1KAT2BKDM4E
SCHEMBL14573817 0.75 TACR1 (0.37) TSHRMAPTKMT2AHTTRAB9A
SCHEMBL14573822 0.74 TSHR (0.41) CNR2TSHRMAPTKMT2AMEN1
SCHEMBL13943284 0.74 KAT2B (0.44) CNR2MAPTKMT2ARAB9AMEN1
SCHEMBL4148678 0.71 PTGER4 (0.42) CNR2TSHRMAPTKMT2AHTT
SCHEMBL13944202 0.71 CNR2 (0.42) CNR2MAPTKMT2AHTTRAB9A
SCHEMBL13943421 0.71 CYP1A2 (0.45) CNR2MAPTKMT2AHTTRAB9A

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 CNR2 4717/4885TSHR 4773/4885MAPT 3536/4885

“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.