SCHEMBL4521175

SCHEMBL4521175

CC(C)(C)OC(=O)NCCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HCAR3 P49019 12/20 0.48
CASP6 P55212 1/20 0.47
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2616134 0.89 TSHR (0.51) TSHRHCAR3CASP6LMNA
SCHEMBL7404809 0.89 TSHR (0.51) TSHRHCAR3CASP6LMNA
SCHEMBL11463892 0.82 HCAR3 (0.54) TSHRHCAR3CASP6NQO2MAPT
SCHEMBL19451787 0.82 HCAR3 (0.68) HCAR3ALDH1A1MAPTNPC1RAB9A
SCHEMBL2441139 0.81 NQO2 (0.48) TSHRNQO2ALDH1A1MAPT
SCHEMBL19058450 0.81 HCAR3 (0.52) TSHRHCAR3CASP6ALDH1A1MAPT
SCHEMBL30408678 0.81 NQO2 (0.53) TSHRNQO2ALDH1A1NPC1RAB9A
SCHEMBL6682212 0.81 NQO2 (0.53) TSHRNQO2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL23228026 0.81 HCAR3 (0.67) HCAR3ALDH1A1MAPTNPC1RAB9A
SCHEMBL18944165 0.80 ALDH1A1 (0.41) TSHRHCAR3ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 TSHR 1584/4885HCAR3 996/4885CASP6 2330/4885

“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.