SCHEMBL21719014

SCHEMBL21719014

CCc1cc(Cl)cnc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR9 P51686 1/20 0.33
PLAU P00749 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL21718413 0.78 NOS3 (0.37) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL21718828 0.77 HPGD (0.34) HPGDHTTHSD17B10KMT2AGABRP
SCHEMBL21718410 0.77 AGBL2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22043387 0.77 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24595033 0.76 CYP1A2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10204664 0.75 LMNA (0.39) HPGDHTTHSD17B10PLAULMNA
SCHEMBL12871591 0.75 HTT (0.33) HPGDHTTHSD17B10CCR9PLAU
SCHEMBL10289728 0.75 HPGD (0.37) HPGDHTTHSD17B10PLAULMNA
SCHEMBL21718833 0.74 CA1 (0.36) HPGDLMNAMEN1KMT2AL3MBTL1
SCHEMBL21719025 0.74 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2

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 4 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-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 (4 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 HPGD 829/4885HTT 2840/4885HSD17B10 541/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HPGD 159/4885HTT 432/4885HSD17B10 423/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HPGD 159/4885HTT 432/4885HSD17B10 423/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 HPGD 829/4885HTT 2840/4885HSD17B10 541/4885

“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.