SCHEMBL4788044

SCHEMBL4788044

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
METAP2 P50579 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 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
NPC1 O15118 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
SCHEMBL14573758 0.92 MAPT (0.39) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL12378155 0.91 METAP2 (0.39) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL4690010 0.87 KDM4E (0.40) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL4694618 0.86 KDM4E (0.40) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL5650550 0.86 KDM4E (0.41) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL4693298 0.85 HTT (0.38) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL4750436 0.85 KDM4E (0.39) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL4154559 0.84 MAPT (0.45) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL5647106 0.83 MAPT (0.44) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL4693839 0.83 METAP2 (0.40) MAPTKDM4ELMNAHTTSMN1; SMN2

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 MAPT 3536/4885KDM4E 1723/4885LMNA 905/4885

“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.