SCHEMBL259549

SCHEMBL259549

O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2ccncc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.74
MAPT P10636 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4C Q9H3R0 2/20 0.54
TNKS O95271 1/20 0.54
NLRP3 Q96P20 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
PARP2 Q9UGN5 1/20 0.54
MMP13 P45452 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
HPGD P15428 2/20 0.50
NPBWR1 P48145 4/20 0.49
NPC1 O15118 2/20 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
SCHEMBL873782 0.85 GUSB (1.00) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL259489 0.81 GUSB (0.74) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL259610 0.81 GUSB (0.74) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11917075 0.81 GUSB (0.74) GUSBMAPTRAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7272308 0.81 MAPT (0.67) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL14344516 0.80 KDM4C (0.80) GUSBMAPTRAB9AKDM4CTNKS
Hydrochloric Acid SCHEMBL258523 0.80 GUSB (0.72) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11917093 0.80 GUSB (0.72) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL875023 0.78 GUSB (0.69) GUSBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2991045 0.77 TNKS (0.73) 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 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 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.