SCHEMBL3935580

SCHEMBL3935580

COC(=O)c1cc2[nH]c(-c3ccc4nc(-c5ccccc5F)ccc4c3)c(-c3ccccc3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.36
TACR3 P29371 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAP4K1 Q92918 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SCD O00767 1/20 0.34
MAPT P10636 1/20 0.34
DHODH Q02127 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TEK Q02763 1/20 0.33
PLA2G2A P14555 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4877262 0.87 MAPK1 (0.33) BDKRB1TACR3BACE1SLC6A2SLC6A4
SCHEMBL4874810 0.85 BDKRB1 (0.34) BDKRB1TACR3BACE1SLC6A2SLC6A4
SCHEMBL3941890 0.81 ALDH1A1 (0.36) BDKRB1TACR3NPC1RAB9ABACE1
SCHEMBL2987902 0.78 LMNA (0.45) RAB9AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2156447 0.75 RAF1 (0.40) RAB9AMAPTALDH1A1HPGDHSD17B10
SCHEMBL2986582 0.75 PTGS2 (0.42) NPC1RAB9ASLC6A4SLC6A3MAPT
SCHEMBL2868302 0.74 ALDH1A1 (0.40) RAB9AMAPTALDH1A1HPGDHSD17B10
SCHEMBL2157797 0.73 LMNA (0.37) RAB9AMAPTALDH1A1HPGDHSD17B10
SCHEMBL4877033 0.70 KCNH2 (0.35)
SCHEMBL2156359 0.69 LMNA (0.44) RAB9AMAPTALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 BDKRB1 3920/4885TACR3 4620/4885NPC1 679/4885

“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.