SCHEMBL30438006

SCHEMBL30438006

CNc1cc(F)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.35
GALR2 O43603 1/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HTT P42858 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HCAR3 P49019 1/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33

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
SCHEMBL25594817 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL25365605 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL31221799 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL3770753 0.77 MAPT (0.45) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3024826 0.76 ATM (0.44) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL28874590 0.73 PDE7A (0.37) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL2383985 0.73 MAPT (0.34) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL5582938 0.73 MAPK1 (0.36) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL823564 0.73 MEN1 (0.34) LMNAMAPTKMT2AMEN1HTT
SCHEMBL27848440 0.73 MAPT (0.34) ALDH1A1MAPTKMT2AMEN1HTT

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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B ALDH1A1 3735/4885SMN1; SMN2 4718/4885LMNA 4393/4885

“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.