SCHEMBL4528842

SCHEMBL4528842

Cc1cccc([N+](=O)[O-])c1-c1ccc2c(c1)N=C(N)N(C)C2N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.35
HTRA2 O43464 1/20 0.34
TDP1 Q9NUW8 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
S100A4 P26447 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL3737121 0.70 PTPN1 (0.43) SMN1; SMN2TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL27930468 0.69 TSHR (0.55) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL15876114 0.68 HSD17B10 (0.51) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL28009614 0.67 TSHR (0.51) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL6051840 0.67 TSHR (0.69) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL4519089 0.66 LMNA (0.34) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL8369010 0.66 HSD17B10 (0.62) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL3534700 0.63 TSHR (0.53) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL6174336 0.62 MAPK1 (0.52) LMNATSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL4528835 0.62 PTPN1 (0.50) LMNATSHRSMN1; SMN2ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 LMNA 4683/4885TSHR 3099/4885SMN1; SMN2 4747/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 LMNA 4683/4885TSHR 3099/4885SMN1; SMN2 4747/4885

“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.