SCHEMBL21718902

SCHEMBL21718902

CCc1cccc(Cl)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
PNMT P11086 2/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 2/20 0.35
TAAR1 Q96RJ0 3/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL25724813 0.93 GABRA1 (0.41) GABRA1GABRB2PNMTKCNJ6KCNJ5
SCHEMBL19940597 0.84 GABRA1 (0.56) GABRA1GABRB2POLBTAAR1HTR1A
SCHEMBL22043371 0.84 GABRA1 (0.43) GABRA1GABRB2PNMTKCNJ6KCNJ5
SCHEMBL24012479 0.82 PNMT (0.38) GABRA1GABRB2PNMTKCNJ6KCNJ5
SCHEMBL14115785 0.82 GABRA1 (0.45) GABRA1GABRB2PNMTKCNJ5KCNJ3
SCHEMBL20844639 0.80 AKR1B1 (0.52) KCNJ6KCNJ5KCNJ3
SCHEMBL78160 0.79 CYP1A2 (0.43) PNMTLMNATAAR1
SCHEMBL27769429 0.77 GABRA1 (0.48) GABRA1GABRB2POLB
SCHEMBL22663374 0.77 GABRA1 (0.48) GABRA1GABRB2POLBTAAR1
SCHEMBL30749472 0.77 GABRA1 (0.48) GABRA1GABRB2POLB

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 5 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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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 (5 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 GABRA1 1949/4885GABRB2 2568/4885PNMT 819/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885PNMT 867/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885PNMT 867/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GABRA1 1949/4885GABRB2 2568/4885PNMT 819/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 GABRA1 2922/4885GABRB2 2882/4885PNMT 4879/4885

“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.