SCHEMBL31358847

SCHEMBL31358847

Cc1c(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc([N+](=O)[O-])c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.58
GSK3B P49841 2/20 0.58
KMT2A Q03164 8/20 0.55
PKM P14618 5/20 0.55
KDM4E B2RXH2 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
BRAF P15056 1/20 0.53
PPM1G O15355 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN7 P35236 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPRO Q16827 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
MAPT P10636 10/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
POLB P06746 6/20 0.52
MAPK1 P28482 3/20 0.52
CTDSP1 Q9GZU7 2/20 0.52
MEN1 O00255 7/20 0.50
ALDH1A1 P00352 7/20 0.50

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
SCHEMBL31358665 0.85 KMT2A (0.73) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL31358732 0.84 KMT2A (0.53) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL31358800 0.83 KMT2A (0.60) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358798 0.82 GSK3B (0.63) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL31358735 0.82 KMT2A (0.57) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL31358808 0.82 KMT2A (0.57) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL5168146 0.82 KMT2A (0.69) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL5145021 0.81 BRAF (0.71) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL31358780 0.80 KMT2A (0.57) GSK3AGSK3BKMT2APKMKDM4E
SCHEMBL31358744 0.80 KMT2A (0.57) GSK3AGSK3BKMT2APKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-01-23 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-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF PTPN18, PTPN7, PTPN1 GSK3A 843/4885GSK3B 787/4885KMT2A 1043/4885

“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.