SCHEMBL4693298

SCHEMBL4693298

CN(C(=O)N1CCOCC1)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KAT2B Q92831 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
TACR1 P25103 2/20 0.33
IDH1 O75874 2/20 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
SCHEMBL4693711 0.89 TACR1 (0.37) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL5645681 0.89 IDH1 (0.34) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL4788174 0.88 TACR1 (0.34) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL13944273 0.87 HTT (0.41) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL13943973 0.86 NPSR1 (0.41) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL14573792 0.86 IDH1 (0.36) LMNATP53KAT2BTDP1TACR1
SCHEMBL14573824 0.86 PTGER4 (0.36) HTTLMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL14573758 0.85 MAPT (0.39) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL4788044 0.85 MAPT (0.39) HTTLMNANPSR1L3MBTL1TP53
SCHEMBL14573776 0.85 TACR1 (0.32) HTTLMNANPSR1L3MBTL1TP53

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 3 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
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 HTT 4294/4885LMNA 905/4885NPSR1 4815/4885

“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.