SCHEMBL31489882

SCHEMBL31489882

COc1ccc(O)c([N+](=O)[O-])n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 16/20 0.45
S1PR4 O95977 2/20 0.42
MAPT P10636 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
ERN1 O75460 1/20 0.41
GSR P00390 2/20 0.40

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
SCHEMBL29888663 0.81 CTSB (0.41) TXNRD1MAPTRAB9AHSP90AA1HTT
SCHEMBL20503680 0.79 GAA (0.37) TXNRD1S1PR4MAPTMAPK1RAB9A
SCHEMBL3772642 0.79 HTT (0.46) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL29888518 0.77 GPR119 (0.35) TXNRD1MAPK1HSP90AA1
SCHEMBL29830024 0.76 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL1848090 0.76 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL29189923 0.76 LCK (0.43) MAPTMAPK1NPSR1RAB9AMEN1
SCHEMBL1809848 0.76 SMN1; SMN2 (0.37) MAPTMAPK1RAB9AHSP90AA1HTT
SCHEMBL187124 0.76 CTSB (0.56) S1PR4MAPTNPSR1RAB9AHTT
SCHEMBL31121580 0.76 CTSB (0.56) S1PR4MAPTNPSR1RAB9AHTT

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-20250074919-A1 Heteroaryl compounds as inhibitors of irak4, compositions and applications thereof ACCRO BIOSCIENCE HK LTD (HK) 2025-03-06 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-20250074919-A1 Heteroaryl compounds as inhibitors of irak4, compositions and applications thereof IRAK4, IRAK1, IRAK2 TXNRD1 2083/4885S1PR4 1670/4885MAPT 2152/4885

“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.