SCHEMBL4895014

SCHEMBL4895014

O=C1Nc2ccc(C(=O)O)cc2C1=NNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPT P10636 1/20 0.52
VCP P55072 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TLK2 Q86UE8 3/20 0.45
PDPK1 O15530 1/20 0.45
JAK3 P52333 1/20 0.45
KDR P35968 2/20 0.43
GAA P10253 2/20 0.42
GFER P55789 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PIM1 P11309 1/20 0.41
TTR P02766 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
AGTR1 P30556 1/20 0.40

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
SCHEMBL4895008 1.00 KMT2A (0.52) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4409457 0.92 MAPT (0.60) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4409453 0.92 MAPT (0.60) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4939902 0.87 TLK2 (0.44) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4939905 0.87 TLK2 (0.44) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL7263628 0.85 KDR (0.53) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL6941860 0.85 KDR (0.53) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4562122 0.85 MAPT (0.46) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4408992 0.85 MEN1 (0.67) KMT2AMEN1POLBHSP90AA1MAPT
SCHEMBL4408999 0.85 MEN1 (0.67) KMT2AMEN1POLBHSP90AA1MAPT

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 3 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
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 KMT2A 2220/4885MEN1 1753/4885POLB 4251/4885

“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.