SCHEMBL4909369

SCHEMBL4909369

CCN1C(=O)C(=NNc2ccccc2[N+](=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 5/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 4/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BRD4 O60885 1/20 0.38
VCAM1 P19320 1/20 0.38
POLB P06746 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
SCHEMBL4909361 1.00 LMNA (0.45) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL4935565 0.90 CASP3 (0.45) LMNAALDH1A1GAAHPGDMAPT
SCHEMBL4935561 0.90 CASP3 (0.45) LMNAALDH1A1GAAHPGDMAPT
SCHEMBL4938461 0.87 ALDH1A1 (0.46) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL4938452 0.87 ALDH1A1 (0.46) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL4414149 0.77 ALDH1A1 (0.47) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL4896187 0.77 ALDH1A1 (0.47) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL4908838 0.73 PARK7 (0.57) LMNAALDH1A1KMT2AL3MBTL1HTT
SCHEMBL4903813 0.69 CASP3 (0.48) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL4903811 0.69 CASP3 (0.48) LMNAALDH1A1GAAHPGDKMT2A

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-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

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 LMNA 4809/4885ALDH1A1 3859/4885GAA 1584/4885

“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.