SCHEMBL259490

SCHEMBL259490

COc1cc(OC)cc(-c2nc3ccc(OC)cc3c(=O)[nH]2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
LMNA P02545 1/20 0.65
GUSB P08236 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TNKS O95271 1/20 0.60
PARP1 P09874 1/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54

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
SCHEMBL28463042 0.90 TNKS (0.74) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL30112743 0.89 NPC1 (0.72) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL28460671 0.89 NPC1 (0.72) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL378550 0.88 NPC1 (0.53) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL28645325 0.86 GUSB (0.77) KDM4EHSD17B10GUSBNPC1RAB9A
SCHEMBL11099539 0.85 GUSB (0.64) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL259558 0.82 HPGD (0.64) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL259542 0.82 KDM4E (0.56) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL259556 0.81 TUBB4A (0.58) KDM4EHSD17B10LMNAGUSBNPC1
SCHEMBL378324 0.81 NPC1 (0.46) KDM4EHSD17B10LMNAGUSBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885HSD17B10 1278/4885LMNA 4331/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885HSD17B10 1278/4885LMNA 4331/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885HSD17B10 1278/4885LMNA 4331/4885

“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.