SCHEMBL31358727

SCHEMBL31358727

COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2Sc3ccccc3C2=O)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 6/20 0.52
MCL1 Q07820 3/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PIK3CG P48736 4/20 0.49
XPA P23025 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PTPN5 P54829 2/20 0.47
PTPN1 P18031 1/20 0.47
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
F5 P12259 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GSK3B P49841 2/20 0.45

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
SCHEMBL31358842 0.92 MEN1 (0.49) MEN1KMT2APOLBTDP1MAPT
SCHEMBL31358758 0.87 PIK3CG (0.49) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL31358671 0.85 MEN1 (0.58) MEN1KMT2APOLBTDP1MAPT
SCHEMBL31358704 0.85 PIK3CG (0.64) MEN1KMT2APOLBTDP1MAPT
SCHEMBL31358851 0.84 KMT2A (0.59) MEN1KMT2APOLBTDP1MAPT
SCHEMBL31358666 0.83 GSK3A (0.63) MEN1KMT2APOLBTDP1MAPT
SCHEMBL31358849 0.83 GSK3B (0.66) MEN1KMT2APOLBTDP1MAPT
SCHEMBL31358858 0.80 GSK3B (0.64) MEN1KMT2APOLBMAPTMCL1
SCHEMBL5147353 0.80 PIK3CG (0.74) MEN1KMT2APOLBTDP1MAPT
SCHEMBL5147349 0.80 PIK3CG (0.74) MEN1KMT2APOLBTDP1MAPT

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 MEN1 2467/4885KMT2A 1043/4885POLB 3743/4885

“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.