SCHEMBL31358733

SCHEMBL31358733

Cc1cc([N+](=O)[O-])c(-c2ccc(C=C3Sc4ccccc4C3=O)o2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
PTPN5 P54829 2/20 0.53
GSK3B P49841 4/20 0.48
GSK3A P49840 3/20 0.48
INSR P06213 1/20 0.48
IGF1R P08069 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
PTPN1 P18031 1/20 0.47
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
CDK2 P24941 1/20 0.47
F5 P12259 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX12 P18054 2/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL31358789 0.92 INSR (0.52) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358778 0.87 KMT2A (0.52) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358858 0.86 GSK3B (0.64) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358807 0.85 INSR (0.53) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358745 0.84 MAPT (0.59) MAPTPTPN5PTPN1PTPN7PTPN22
SCHEMBL31358736 0.83 INSR (0.67) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358720 0.83 GSK3B (0.51) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358796 0.82 PTPN5 (0.68) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358798 0.82 GSK3B (0.63) MAPTPTPN5GSK3BGSK3AINSR
SCHEMBL31358671 0.81 MEN1 (0.58) MAPTPTPN5GSK3BGSK3AINSR

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 MAPT 4688/4885PTPN5 8/4885GSK3B 787/4885

“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.