SCHEMBL259276

SCHEMBL259276

O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2c1oc1ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.56
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ELANE P08246 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 4/20 0.45
TNKS2 Q9H2K2 4/20 0.45
PARP1 P09874 2/20 0.45
PDE4D Q08499 3/20 0.45
RNASEL Q05823 1/20 0.43
PARP2 Q9UGN5 2/20 0.43
MMP13 P45452 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
PDE4A P27815 1/20 0.42

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
SCHEMBL259355 0.88 TNKS (0.56) GUSBMEN1KMT2AMAPTHTT
SCHEMBL259214 0.82 TNKS (0.49) GUSBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13318641 0.82 PIM3 (0.41) SMN1; SMN2RAB9AL3MBTL1TNKSTNKS2
SCHEMBL259304 0.80 PIK3CA (0.54) KMT2ATNKSTNKS2PARP1ALDH1A1
SCHEMBL259271 0.78 PIM1 (0.44) TNKSTNKS2PARP2IDO1
SCHEMBL259059 0.77 ALDH1A1 (0.48) MAPTPARP1LMNAALDH1A1
SCHEMBL13318878 0.75 PIM1 (0.40) SMN1; SMN2RAB9ATNKSTNKS2PARP1
SCHEMBL259307 0.74 TNKS2 (0.56) GUSBMAPTSMN1; SMN2RAB9ATNKS
SCHEMBL873782 0.73 GUSB (1.00) GUSBMEN1KMT2AELANEMAPT
SCHEMBL259098 0.72 PIK3CA (0.72) MEN1KMT2AALDH1A1

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-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-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 1751/4885MEN1 3330/4885KMT2A 1722/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885MEN1 3330/4885KMT2A 1722/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885MEN1 3330/4885KMT2A 1722/4885

“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.