SCHEMBL4780033

SCHEMBL4780033

COC(=O)Nc1cc(Nc2ccnc(OC)c2)ccc1-c1cccc2occc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CNR1 P21554 1/20 0.37
EGFR P00533 7/20 0.37
KDR P35968 6/20 0.37
FADS1 O60427 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
AURKA O14965 1/20 0.36
TGFBR1 P36897 1/20 0.35
MAPK3 P27361 1/20 0.35
DRD1 P21728 1/20 0.35
TP53 P04637 1/20 0.34
SORT1 Q99523 1/20 0.34
AGPAT2 O15120 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 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
SCHEMBL3931030 0.84 KCNK3 (0.43) KCNK3KCNK9CNR1KDRAURKA
SCHEMBL4780029 0.84 CNR1 (0.39) KCNK3KCNK9CNR1EGFRKDR
SCHEMBL3931027 0.74 KCNK3 (0.42) KCNK3KCNK9CNR1KDRAURKA
SCHEMBL4163525 0.67 HPGDS (0.45) CNR1TGFBR1
SCHEMBL26436227 0.65 AKR1C3 (0.48) KCNK3KCNK9KDRAURKASORT1
SCHEMBL22125487 0.62 SMARCA2 (0.67) KCNK3KCNK9CNR1TP53SORT1
SCHEMBL21750831 0.62 CNR1 (0.58) KCNK3KCNK9CNR1KDRTP53
SCHEMBL15880285 0.62 SORT1 (0.55) KCNK3KCNK9CNR1KDRMAPK3
SCHEMBL13036336 0.62 SORT1 (0.52) KCNK3KCNK9CNR1SORT1MEN1
SCHEMBL29556058 0.62 CNR1 (0.68) CNR1KDRTP53MEN1KMT2A

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
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, 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 (2 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-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNK3 1797/4885KCNK9 3554/4885CNR1 233/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KCNK3 1938/4885KCNK9 3675/4885CNR1 202/4885

“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.