SCHEMBL21719655

SCHEMBL21719655

Cc1c([N+](=O)[O-])cnn1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR35 Q9HC97 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
SCHEMBL18383144 0.83 ALDH1A1 (0.49) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL18383143 0.83 POLB (0.47) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL16985364 0.82 POLB (0.40) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL18383145 0.82 POLB (0.43) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL25677150 0.82 LRRK2 (0.38) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL21721122 0.80 LMNA (0.43) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL8543541 0.77 SMN1; SMN2 (0.64) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL8547507 0.76 HTT (0.49) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL8546166 0.76 LMNA (0.49) LMNASMN1; SMN2HPGDHTTATM
SCHEMBL8546196 0.75 LMNA (0.48) LMNASMN1; SMN2HPGDHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK LMNA 2672/4885SMN1; SMN2 3624/4885HPGD 159/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK LMNA 2672/4885SMN1; SMN2 3624/4885HPGD 159/4885

“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.