SCHEMBL31358779

SCHEMBL31358779

O=C1C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)Cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.59
GSK3B P49841 2/20 0.59
POLB P06746 6/20 0.53
MAPT P10636 9/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PTGS2 P35354 1/20 0.44
PIK3CG P48736 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL31358853 0.92 MAPT (0.60) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358676 0.86 HPGD (0.57) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358673 0.85 MAPT (0.58) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358804 0.84 MAPT (0.53) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358883 0.84 GSK3A (0.59) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358690 0.83 MAPT (0.58) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358861 0.82 MAPT (0.51) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358867 0.82 MAPT (0.58) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358700 0.79 ALDH1A1 (0.57) GSK3AGSK3BPOLBMAPTALDH1A1
SCHEMBL31358879 0.79 ALDH1A1 (0.57) GSK3AGSK3BPOLBMAPTALDH1A1

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.