SCHEMBL259529

SCHEMBL259529

O=c1[nH]c(-c2ccco2)nc2ccc(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 4/20 0.50
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
PARP1 P09874 2/20 0.48
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL2803518 0.84 TUBB4A (0.49) ALOX5EPHX2PARP1TNKSTNKS2
SCHEMBL11826963 0.81 TNKS (0.61) GUSBPARP1TNKSTNKS2ALDH1A1
SCHEMBL259258 0.79 POLB (0.64) ALOX5EPHX2ALDH1A1RAB9AKDM4E
SCHEMBL20550456 0.70 ALOX5 (0.63) ALOX5EPHX2ALDH1A1RAB9AKDM4E
SCHEMBL29901695 0.70 KDM4E (0.62) GUSBPARP1TNKS2ALDH1A1RAB9A
SCHEMBL28637729 0.70 KDM4E (0.62) GUSBPARP1TNKS2ALDH1A1RAB9A
SCHEMBL4755403 0.70 TYMS (0.72) GUSBPARP1
SCHEMBL273167 0.70 GUSB (0.51) GUSBPARP1TNKSTNKS2ALDH1A1
SCHEMBL13343647 0.69 PARP1 (0.50) GUSBPARP1TNKSTNKS2ALDH1A1
SCHEMBL259489 0.69 GUSB (0.74) GUSBPARP1TNKSTNKS2RAB9A

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 11 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-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP 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 1751/4885ALOX5 4064/4885EPHX2 3973/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885ALOX5 4064/4885EPHX2 3973/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885ALOX5 4064/4885EPHX2 3973/4885

“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.