SCHEMBL259526

SCHEMBL259526

COOC(=O)c1ccc(-c2nc3ccc(O)cc3c(=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.59
PARP1 P09874 5/20 0.51
TNKS2 Q9H2K2 5/20 0.51
GUSB P08236 5/20 0.51
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP1A2 P05177 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
RHEB Q15382 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL13298758 0.91 TNKS (0.72) TNKSPARP1TNKS2GUSBMMP2
SCHEMBL277488 0.79 TNKS (0.51) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL259248 0.78 TNKS (0.58) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL16965338 0.78 TNKS (0.70) TNKSPARP1TNKS2MMP2MMP9
SCHEMBL11099539 0.77 GUSB (0.64) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL259533 0.76 CHEK2 (0.61) TNKSPARP1TNKS2GUSBMMP2
SCHEMBL259566 0.75 TNKS (0.66) TNKSPARP1TNKS2GUSBMMP2
SCHEMBL11388577 0.75 CHEK2 (0.69) TNKSPARP1TNKS2GUSBCYP1A2
SCHEMBL259557 0.75 CYP1A1 (0.57) TNKSPARP1TNKS2GUSBCYP1A1
SCHEMBL259520 0.73 TNKS (0.68) TNKSPARP1TNKS2GUSBMMP2

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 2 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

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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885PARP1 1165/4885TNKS2 487/4885

“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.