SCHEMBL21720355

SCHEMBL21720355

CC(C)(C)n1ncc(I)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
GPR183 P32249 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR35 Q9HC97 1/20 0.34
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL21720764 0.77 SMN1; SMN2 (0.33) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21720785 0.77 MEN1 (0.33) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21718839 0.76 CYP17A1 (0.32)
SCHEMBL20843896 0.76 CYP1A2 (0.35) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21720714 0.76
SCHEMBL25138723 0.74 HPGD (0.33) LMNASMN1; SMN2HPGD
SCHEMBL21720769 0.74 SMN1; SMN2 (0.32) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21721149 0.74 SMN1; SMN2 (0.31) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21718646 0.74 TSHR (0.35) MEN1NPC1GALR3NR2F2GPR183
SCHEMBL21720900 0.71 LRRK2 (0.33) MEN1NPC1GALR3NR2F2GPR183

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 MEN1 511/4885NPC1 3861/4885GALR3 2553/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MEN1 511/4885NPC1 3861/4885GALR3 2553/4885

“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.