SCHEMBL21719285

SCHEMBL21719285

Cc1cc(C(C)(C)C)c(I)nn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
CA2 P00918 2/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
MEN1 O00255 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL21719333 0.76 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL21719510 0.76 KDM4E (0.31) ALDH1A1SMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL16302756 0.74 CA2 (0.34) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL21719165 0.73 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL10848859 0.73 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL26860450 0.73 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL21718455 0.71 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL17813862 0.70 CA2 (0.36) ALDH1A1SMN1; SMN2POLBCA2TYR
SCHEMBL21718474 0.68
SCHEMBL21719295 0.68 UHRF1 (0.37) ALDH1A1SMN1; SMN2POLBCA2TYR

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 ALDH1A1 894/4885SMN1; SMN2 3624/4885POLB 4045/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885POLB 4045/4885

“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.