SCHEMBL31358780

SCHEMBL31358780

O=C1C(=Cc2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)C(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
PKM P14618 4/20 0.57
KDM4E B2RXH2 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
BRAF P15056 1/20 0.55
MAPT P10636 9/20 0.52
MEN1 O00255 8/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 5/20 0.52
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
RECQL P46063 2/20 0.52
MAPK1 P28482 2/20 0.52
HTRA2 O43464 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
NTSR1 P30989 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
POLB P06746 5/20 0.51

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
SCHEMBL31358665 0.86 KMT2A (0.73) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358680 0.86 KMT2A (0.58) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358744 0.86 KMT2A (0.57) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358739 0.83 MAPT (0.64) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358743 0.83 MAPT (0.57) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358800 0.82 KMT2A (0.60) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358762 0.81 PIK3CG (0.60) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358847 0.80 GSK3A (0.58) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358735 0.79 KMT2A (0.57) KMT2APKMKDM4ENPSR1BRAF
SCHEMBL31358808 0.79 KMT2A (0.57) KMT2APKMKDM4ENPSR1BRAF

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 KMT2A 1043/4885PKM 4300/4885KDM4E 1374/4885

“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.