SCHEMBL31358736

SCHEMBL31358736

O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)Sc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.67
IGF1R P08069 1/20 0.67
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
CDK2 P24941 1/20 0.64
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 4/20 0.58
PKM P14618 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
THRB P10828 1/20 0.56
ALOX12 P18054 1/20 0.56
BRAF P15056 1/20 0.56
PIK3CA P42336 1/20 0.53
PIK3CG P48736 1/20 0.53
HPGD P15428 4/20 0.53
MEN1 O00255 4/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 3/20 0.53

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
SCHEMBL31358858 0.89 GSK3B (0.64) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358807 0.88 INSR (0.53) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358789 0.87 INSR (0.52) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358798 0.87 GSK3B (0.63) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358720 0.86 GSK3B (0.51) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358778 0.86 KMT2A (0.52) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358849 0.86 GSK3B (0.66) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358796 0.83 PTPN5 (0.68) INSRIGF1RGSK3AGSK3BCDK2
SCHEMBL31358770 0.80 PTPN5 (0.64) INSRIGF1RGSK3AGSK3BKMT2A
SCHEMBL25246954 0.80 PTPN5 (0.68) INSRIGF1RKMT2AKDM4EMAPT

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 INSR 2290/4885IGF1R 1756/4885GSK3A 843/4885

“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.