SCHEMBL2197462

SCHEMBL2197462

Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.73
PDE4D Q08499 4/20 0.73
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
PDE4A P27815 3/20 0.52
PDE4C Q08493 3/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ABHD16A O95870 1/20 0.47
MAPK14 Q16539 2/20 0.47

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
SCHEMBL30583450 0.84 PDE4D (1.00) PDE4BPDE4DSMN1; SMN2NPC1RAB9A
SCHEMBL2201643 0.84 PDE4D (1.00) PDE4BPDE4DSMN1; SMN2NPC1RAB9A
SCHEMBL8511047 0.81 PDE4B (0.62) PDE4BPDE4DL3MBTL1SMN1; SMN2NPC1
SCHEMBL2201890 0.80 LMNA (0.64) PDE4DL3MBTL1NPC1RAB9AMEN1
SCHEMBL2938583 0.79 MEN1 (0.69) PDE4DL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2197832 0.79 EGLN1 (0.54) PDE4BPDE4DL3MBTL1NPC1RAB9A
SCHEMBL27920237 0.79 KMT2A (0.63) PDE4BPDE4DNPC1RAB9AMEN1
SCHEMBL2203454 0.77 PDE4B (0.56) PDE4BPDE4DL3MBTL1SMN1; SMN2NPC1
SCHEMBL9609102 0.76 PDE4B (0.59) PDE4BPDE4DL3MBTL1SMN1; SMN2NPC1
SCHEMBL2202029 0.75 POLB (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 PDE4B 607/4885PDE4D 814/4885L3MBTL1 4149/4885

“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.