SCHEMBL21720342

SCHEMBL21720342

Cc1c(Cl)cnn1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 3/20 0.33
HTT P42858 3/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
GPR183 P32249 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 1/20 0.32
CYP17A1 P05093 1/20 0.32

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 0.79 SMN1; SMN2 (0.33) SMN1; SMN2LMNAMAPK1HTTCYP1A2
SCHEMBL12960396 0.76 CYP1A2 (0.37) SMN1; SMN2LMNACYP1A2TSHRCYP3A4
SCHEMBL21720769 0.76 SMN1; SMN2 (0.32) SMN1; SMN2LMNAMAPK1HTTCYP1A2
SCHEMBL21718849 0.76 MAPK1 (0.35) SMN1; SMN2LMNAMAPK1HTTCYP1A2
SCHEMBL3845405 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPK1HTTCYP1A2
SCHEMBL23399663 0.73 CYP17A1 (0.32) CYP1A2CYP17A1
SCHEMBL20843896 0.73 CYP1A2 (0.35) SMN1; SMN2LMNAMAPK1HTTCYP1A2
SCHEMBL21720353 0.73 PLA2G1B (0.33) SMN1; SMN2HTTCYP1A2NPSR1NPC1
SCHEMBL21718839 0.73 CYP17A1 (0.32) CYP1A2CYP17A1
SCHEMBL21719911 0.73 CYP17A1 (0.32) MAPK1CYP1A2TSHRCYP17A1

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 SMN1; SMN2 3624/4885LMNA 2672/4885MAPK1 696/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885LMNA 2672/4885MAPK1 696/4885

“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.