SCHEMBL6154434

SCHEMBL6154434

Cc1c([N+](=O)[O-])cnn1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.36
CHRM1 P11229 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL16652868 0.87 MAPK1 (0.49) SMN1; SMN2L3MBTL1POLBMAPK1ATM
SCHEMBL16652870 0.87 MAPK1 (0.49) SMN1; SMN2L3MBTL1POLBMAPK1ATM
SCHEMBL20555539 0.87 MAPK1 (0.49) SMN1; SMN2L3MBTL1POLBMAPK1ATM
SCHEMBL29173477 0.85 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBMAPK1ATM
SCHEMBL20555040 0.81 ALDH1A1 (0.35) SMN1; SMN2L3MBTL1POLBMAPK1ATM
SCHEMBL20555041 0.81 ALDH1A1 (0.35) SMN1; SMN2L3MBTL1POLBMAPK1ATM
SCHEMBL16975468 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL16985339 0.79 ALDH1A1 (0.51) SMN1; SMN2ATMKMT2AMEN1ALDH1A1
SCHEMBL15171010 0.78 POLB (0.47) SMN1; SMN2L3MBTL1POLBKMT2AMEN1
SCHEMBL16975314 0.77 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1POLBMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-15 US disclosed
EP-4046688-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-04-09 EP disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
EP-4046688-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-08-24 EP disclosed
CN-101066950-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2007-11-07 CN disclosed
CN-101062917-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2007-10-31 CN disclosed
CN-101062918-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2007-10-31 CN disclosed
CN-1732155-A 4-amino-5-methylpyrazole derivatives and process for producing the same SANKYO AGRO CO LTD (JP) 2006-02-08 CN disclosed
EP-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP 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 (2 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-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA SMN1; SMN2 2/4885L3MBTL1 547/4885POLB 1400/4885
US-12358879-B2 Heterocyclic compound PARK7, SMN1; SMN2, SNCA SMN1; SMN2 2/4885L3MBTL1 547/4885POLB 1400/4885

“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.