SCHEMBL31358883

SCHEMBL31358883

O=C1C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
POLB P06746 7/20 0.57
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 2/20 0.50
MCL1 Q07820 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 3/20 0.48
PKM P14618 2/20 0.48
PTPRC P08575 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL31358799 0.91 KMT2A (0.66) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL31358711 0.86 MAPT (0.64) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL31358762 0.84 PIK3CG (0.60) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL31358779 0.84 GSK3A (0.59) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL31358742 0.83 KMT2A (0.49) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL31358666 0.83 GSK3A (0.63) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL5991974 0.83 GSK3A (0.53) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL31358701 0.83 MAPT (0.65) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL31358774 0.81 BRAF (0.67) GSK3AGSK3BPOLBKMT2AMEN1
SCHEMBL31358792 0.81 JAK2 (0.60) GSK3AGSK3BPOLBKMT2AMEN1

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 787/4885POLB 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.