SCHEMBL259520

SCHEMBL259520

O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.68
TNKS2 Q9H2K2 5/20 0.68
GUSB P08236 3/20 0.68
PARP2 Q9UGN5 2/20 0.68
NLRP3 Q96P20 1/20 0.68
NPBWR1 P48145 7/20 0.63
MAPT P10636 6/20 0.59
RAB9A P51151 6/20 0.59
PARP1 P09874 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 5/20 0.58
MMP2 P08253 4/20 0.58
MMP9 P14780 4/20 0.58
MMP8 P22894 4/20 0.58
MMP13 P45452 3/20 0.58
HTT P42858 3/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58

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
SCHEMBL30665826 0.89 TNKS (0.75) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL259489 0.86 GUSB (0.74) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL259417 0.85 GUSB (0.50) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL2991045 0.83 TNKS (0.73) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL15775356 0.81 TNKS (1.00) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL259535 0.81 TNKS (0.45) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL259545 0.80 TNKS (0.59) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL347973 0.79 TNKS (0.54) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL31399869 0.78 TNKS (0.65) TNKSTNKS2GUSBPARP2NLRP3
SCHEMBL31049578 0.77 NPBWR1 (1.00) NPBWR1MAPTRAB9AMEN1KMT2A

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 10 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
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 TNKS 578/4885TNKS2 487/4885GUSB 1751/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885GUSB 1751/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885GUSB 1751/4885

“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.