SCHEMBL11549503

SCHEMBL11549503

CC(C)(C)Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PABPC1 P11940 2/20 0.50
POLB P06746 1/20 0.47
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10465836 0.85 HSPB1 (0.68) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL200375 0.83 CYP2C19 (0.54) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL10056 0.82 MAPT (0.51) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL30850667 0.80 KMT2A (0.70) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL1851173 0.80 KMT2A (0.70) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL27449389 0.80 HSPB1 (0.70) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL17633171 0.79 CYP2C19 (0.52) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL9969416 0.78 KMT2A (0.52) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL28723950 0.78 MAPT (0.53) HSPB1CYP2C19MAPTNPSR1KMT2A
SCHEMBL6643235 0.77 HSPB1 (0.54) HSPB1CYP2C19MAPTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205653-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-10-23 US disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
US-4173639-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-11-06 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-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES TRHDE, EPX, EPHX1 HSPB1 2516/4885CYP2C19 376/4885MAPT 4867/4885

“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.