SCHEMBL4938452

SCHEMBL4938452

CN1C(=O)/C(=N\Nc2ccccc2[N+](=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
VCAM1 P19320 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.38

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
SCHEMBL4938461 1.00 ALDH1A1 (0.46) ALDH1A1GAALMNAHPGDCA1
SCHEMBL4909361 0.87 LMNA (0.45) ALDH1A1GAALMNAHPGDCA2
SCHEMBL4909369 0.87 LMNA (0.45) ALDH1A1GAALMNAHPGDCA2
SCHEMBL4935561 0.85 CASP3 (0.45) ALDH1A1GAALMNAHPGDCA1
SCHEMBL4935565 0.85 CASP3 (0.45) ALDH1A1GAALMNAHPGDCA1
SCHEMBL4414149 0.79 ALDH1A1 (0.47) ALDH1A1GAALMNAHPGDCA1
SCHEMBL4896187 0.79 ALDH1A1 (0.47) ALDH1A1GAALMNAHPGDCA1
SCHEMBL9661674 0.74 CYP1A2 (0.47) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL4898697 0.71 CASP3 (0.54) HTTPKMMAPTTTRCASP1
SCHEMBL4903811 0.69 CASP3 (0.48) ALDH1A1GAALMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
WO-2007117699-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-87877, NSC-117199 AND THEIR ANALOGS UNIVERSITY OF SOUTH FLORIDA (US) 2007-10-18 WO 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 (1 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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 ALDH1A1 3859/4885GAA 1584/4885LMNA 4809/4885

“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.