SCHEMBL21721116

SCHEMBL21721116

CCOC(=O)c1c(I)ncn1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL21721111 0.84 MAPK1 (0.46) MAPK1ALDH1A1LMNAHPGDKDM4E
SCHEMBL21721406 0.83 ALDH1A1 (0.42) MAPK1ALDH1A1LMNAHPGDMAPT
SCHEMBL21719638 0.82 MAPK1 (0.40) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21721117 0.82 ALDH1A1 (0.40) MAPK1ALDH1A1LMNAHPGDKDM4E
SCHEMBL21721124 0.82 MAPK1 (0.40) MAPK1ALDH1A1LMNAHPGDKDM4E
SCHEMBL14710629 0.80 KMT2A (0.42) MAPK1ALDH1A1LMNAHPGDKDM4E
SCHEMBL841581 0.76 CYP1A2 (0.39) MAPK1ALDH1A1LMNAHPGDKDM4E
SCHEMBL31352259 0.76 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKDM4EHSD17B10
SCHEMBL278250 0.74 ALDH1A1 (0.41) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25340795 0.73 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPTKMT2A

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 MAPK1 696/4885ALDH1A1 894/4885LMNA 2672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MAPK1 696/4885ALDH1A1 894/4885LMNA 2672/4885

“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.