SCHEMBL259583

SCHEMBL259583

COc1ccc(-c2nc3ccc(OC(C)=O)cc3c(=O)[nH]2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.64
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
AMY1A P0DUB6 2/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
CYP1A2 P05177 1/20 0.55
CDK4 P11802 3/20 0.53
CCND1 P24385 3/20 0.53
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52

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
SCHEMBL259596 0.97 AMY1A (0.61) GUSBKDM4EALDH1A1MAPTMEN1
SCHEMBL259429 0.89 TUBB4A (0.52) GUSBKDM4EALDH1A1MAPTMEN1
SCHEMBL259505 0.84 TUBB4A (0.54) GUSBKDM4EALDH1A1MAPTTUBB4A
SCHEMBL259275 0.84 TUBB4A (0.58) GUSBALDH1A1MAPTPOLBTUBB4A
SCHEMBL259556 0.83 TUBB4A (0.58) GUSBKDM4EALDH1A1MAPTPOLB
SCHEMBL15690419 0.83 GUSB (0.80) GUSBAMY1ACYP1A1CYP1B1CYP1A2
SCHEMBL11379972 0.83 GUSB (0.68) GUSBKDM4EALDH1A1MAPTMEN1
SCHEMBL259566 0.82 TNKS (0.66) GUSBKDM4EALDH1A1MAPTHPGD
SCHEMBL17786541 0.80 GUSB (0.71) GUSBKDM4EALDH1A1MAPTMEN1
SCHEMBL259265 0.80 TUBB4A (0.49) GUSBKDM4EALDH1A1MAPTMEN1

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 GUSB 1751/4885KDM4E 2196/4885ALDH1A1 4428/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885KDM4E 2196/4885ALDH1A1 4428/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885KDM4E 2196/4885ALDH1A1 4428/4885

“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.