SCHEMBL259390

SCHEMBL259390

Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
MAPT P10636 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
MAPK1 P28482 1/20 0.66
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 4/20 0.58
POLB P06746 1/20 0.57
NFKBIA P25963 1/20 0.57
RELA Q04206 1/20 0.57
IDH1 O75874 1/20 0.56
HTT P42858 2/20 0.55
SLC5A1 P13866 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 1/20 0.54
PKM P14618 2/20 0.53

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
SCHEMBL7572373 0.88 L3MBTL1 (0.67) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL15646419 0.87 MEN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL8425835 0.86 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2240841 0.85 ALPL (0.69) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL25754681 0.85 MEN1 (0.73) MEN1KMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL2243550 0.83 CA2 (0.68) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL15043011 0.81 ALDH1A1 (0.66) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7571585 0.80 ALDH1A1 (0.66) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL95317 0.80 SMN1; SMN2 (0.60) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL7571566 0.80 SMN1; SMN2 (0.57) MEN1KMT2AMAPTSMN1; SMN2TDP1

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 MEN1 3330/4885KMT2A 1722/4885MAPT 3923/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885MAPT 3923/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885MAPT 3923/4885

“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.