SCHEMBL344052

SCHEMBL344052

COC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
HSP90AA1 P07900 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HSP90B1 P14625 1/20 0.34
SLC5A2 P31639 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 2/20 0.33
RORC P51449 1/20 0.33
RET P07949 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
SCHEMBL342355 0.94 PARP1 (0.36) HSP90AA1POLBMAPTKDM5AKDM5B
SCHEMBL342063 0.74 NPSR1 (0.38) HSP90AA1POLBMAPTKDM5AKDM5B
SCHEMBL2146828 0.73 MAPT (0.44) HSP90AA1POLBMAPTNPSR1HSP90B1
SCHEMBL351535 0.69 PARP1 (0.43) MAPTNPSR1PARP1
SCHEMBL22290167 0.68 NPSR1 (0.44) HSP90AA1POLBMAPTNPSR1HSP90B1
SCHEMBL19932676 0.68 GRM2 (0.39) HSP90AA1POLBMAPTKDM5AKDM5B
SCHEMBL12378242 0.66 MAPT (0.48) HSP90AA1POLBMAPTKDM5AKDM5B
SCHEMBL4585367 0.66 MAPT (0.47) HSP90AA1POLBMAPTKDM5AKDM5B
SCHEMBL5547230 0.66 MAPT (0.41) HSP90AA1POLBMAPTKDM5AKDM5B
SCHEMBL350255 0.65 NPSR1 (0.42) MAPTNPSR1ALDH1A1HPGD

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-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 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 (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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DHFR 1632/4885HSP90AA1 1719/4885POLB 57/4885

“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.