SCHEMBL17157458

SCHEMBL17157458

CON(C)C(=O)c1cncnc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
MTOR P42345 6/20 0.39
GPBAR1 Q8TDU6 4/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
ICOSLG O75144 1/20 0.33
ICOS Q9Y6W8 1/20 0.33
HPGD P15428 2/20 0.33
MLYCD O95822 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABL1 P00519 1/20 0.32
PDE10A Q9Y233 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL17157430 0.82 GPBAR1 (0.43) PIK3CAMTORGPBAR1HPGDMLYCD
SCHEMBL14732232 0.82 PIK3CA (0.36) PIK3CAMTORGPBAR1ICAM1SELE
SCHEMBL22791669 0.75 ALDH1A1 (0.43) ICOSLGICOSKDM4EALDH1A1ABL1
SCHEMBL2507311 0.74 HCAR2 (0.46) PIK3CAMTORICAM1SELEHPGD
SCHEMBL30041415 0.74 OPRK1 (0.37) PIK3CAMTORALDH1A1
SCHEMBL21591708 0.74 OPRK1 (0.37) PIK3CAMTORALDH1A1
SCHEMBL24556486 0.74 HPGD (0.31) GPBAR1HPGDKDM4EALDH1A1CYP1A2
SCHEMBL307472 0.73 P2RX7 (0.50) KDM4EALDH1A1CYP3A4ALOX15TRPM8
SCHEMBL17157497 0.73 SIRT3 (0.54) GPBAR1ICAM1SELEMLYCDKDM4E
SCHEMBL8578654 0.72 SMN1; SMN2 (0.45) KDM4EALDH1A1CYP1A2ABL1

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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-10-18 US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 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 (3 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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM PIK3CA 4075/4885MTOR 3799/4885GPBAR1 1362/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM PIK3CA 4075/4885MTOR 3799/4885GPBAR1 1362/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM PIK3CA 4075/4885MTOR 3799/4885GPBAR1 1362/4885

“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.