SCHEMBL22140201

SCHEMBL22140201

CCC(C)(C)c1ccncc1Br

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
AXL P30530 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31

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
SCHEMBL7253767 0.79 ALOX5 (0.39) TP53CYP3A4MAPTTSHRMAPK1
SCHEMBL18626328 0.78 PRKCH (0.34) CYP3A4CA12CA1CA2CA9
SCHEMBL13412862 0.78 ALOX5 (0.36) CA12CA1CA2CA9CA14
SCHEMBL20516748 0.78 AXL (0.34) TP53CYP3A4MAPTTSHRMAPK1
SCHEMBL18626326 0.77 LOXL2 (0.41) LATS1LATS2
SCHEMBL17403402 0.77 CNR1 (0.35) CA12CA1CA2CA9CA14
SCHEMBL526754 0.76 CCNC (0.36) TP53CYP3A4MAPTTSHRMAPK1
SCHEMBL28553770 0.74 AXL (0.38) TP53MAPTSMN1; SMN2AXLCCNC
SCHEMBL16477946 0.74 SIRT3 (0.36) CYP3A4CA12CA1CA2CA9
SCHEMBL21259451 0.74 RPS6KA3 (0.33) CA12CA1CA2CA9CA14

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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TP53 4372/4885CYP3A4 28/4885MAPT 2876/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TP53 4372/4885CYP3A4 28/4885MAPT 2876/4885

“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.