SCHEMBL21721176

SCHEMBL21721176

CC(=O)Nc1c(I)nn(C(C)(C)C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 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
SCHEMBL21719759 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EHTTMAPTTSHR
SCHEMBL21719783 0.83 LMNA (0.35) ALDH1A1KDM4EHTTLMNANPC1
SCHEMBL21721155 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHTTMAPTTSHR
SCHEMBL21719766 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHTTMAPTTSHR
SCHEMBL21721137 0.82 CYP1A2 (0.36) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL21721531 0.81 LMNA (0.33) ALDH1A1KDM4EHTTLMNACYP1A2
SCHEMBL21721542 0.81 LMNA (0.37) ALDH1A1KDM4EHTTLMNACYP1A2
SCHEMBL21721548 0.78 KDM4E (0.33) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL21721161 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EHTTMAPTTSHR
SCHEMBL21721179 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHTTMAPTTSHR

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 894/4885KDM4E 595/4885HTT 432/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885KDM4E 595/4885HTT 432/4885

“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.