SCHEMBL26029324

SCHEMBL26029324

CC(C)(C)c1cc([N+](=O)[O-])c2ncccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.62
HSP90AB1 P08238 1/20 0.62
PDE10A Q9Y233 1/20 0.58
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 6/20 0.48
HTT P42858 5/20 0.48
RELA Q04206 4/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
CASP6 P55212 2/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
NFKBIA P25963 3/20 0.46
SLC40A1 Q9NP59 2/20 0.46
MEN1 O00255 9/20 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
SCHEMBL26029175 0.85 HSP90AA1 (0.44) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL5445828 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2472343 0.80 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL4329054 0.78 MAPT (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2476277 0.78 HSP90AA1 (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL13945803 0.78 CCR1 (0.43) HSP90AA1HSP90AB1MAPTALDH1A1L3MBTL1
SCHEMBL3557626 0.77 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL6634465 0.77 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2227640 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL7443605 0.77 PDE4A (0.61) PDE4D

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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HSP90AA1 2117/4885HSP90AB1 1909/4885PDE10A 794/4885

“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.