SCHEMBL259610

SCHEMBL259610

O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2ccc(F)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.74
MAPT P10636 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MMP13 P45452 2/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
TNKS O95271 5/20 0.54
TNKS2 Q9H2K2 5/20 0.54
PARP2 Q9UGN5 2/20 0.54
NLRP3 Q96P20 1/20 0.54
PARP1 P09874 3/20 0.54
NPBWR1 P48145 4/20 0.52
NPC1 O15118 1/20 0.52
GABRP O00591 1/20 0.49

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
SCHEMBL11917075 0.86 GUSB (0.74) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL259489 0.86 GUSB (0.74) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL873782 0.85 GUSB (1.00) GUSBMAPTRAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL258523 0.85 GUSB (0.72) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL875023 0.83 GUSB (0.69) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2991045 0.82 TNKS (0.73) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11917093 0.82 GUSB (0.72) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL259245 0.82 TNKS (0.71) GUSBMAPTRAB9ATNKSTNKS2
SCHEMBL259549 0.81 GUSB (0.74) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL259562 0.79 GUSB (0.64) GUSBMAPTRAB9ASMN1; SMN2MEN1

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 8 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-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 1751/4885MAPT 3923/4885RAB9A 613/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885MAPT 3923/4885RAB9A 613/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885MAPT 3923/4885RAB9A 613/4885

“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.