SCHEMBL1654720

SCHEMBL1654720

COc1c(Cl)ccc(-c2nc(C(=O)O)c3c(C)c[nH]c3n2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEP1B Q16820 1/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ CDK9 P50750 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ PRKAG1 P54619 3/20 0.32
▸ PRKAA1 Q13131 3/20 0.32
▸ PRKAB1 Q9Y478 3/20 0.32
▸ PRKAB2 O43741 2/20 0.32
▸ PRKAA2 P54646 2/20 0.32
▸ PRKAG3 Q9UGI9 2/20 0.32
▸ PRKAG2 Q9UGJ0 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ACLY P53396 2/20 0.32
▸ MEN1 O00255 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
SCHEMBL1654718 0.92 TAS1R3 (0.34) KMOHSD17B10KDM4EALDH1A1MEP1B
SCHEMBL11903334 0.88 JAK3 (0.38) HSD17B10ALDH1A1MEP1BMAPTMEN1
SCHEMBL11902200 0.87 MEP1B (0.34) KMOMEP1BTAS1R3TAS1R1
SCHEMBL11903387 0.85 DHODH (0.36) HSD17B10KMT2ASMN1; SMN2
SCHEMBL11913424 0.84 DYRK1A (0.35) MEP1BDYRK1AHSP90AB1
SCHEMBL11903222 0.84 SMN1; SMN2 (0.34) HSD17B10KDM4EALDH1A1MEP1BMAPT
SCHEMBL11902933 0.83 SMN1; SMN2 (0.34) KDM4EALDH1A1MEP1BCYP2C9KMT2A
SCHEMBL11902410 0.83 SMN1; SMN2 (0.34) ALDH1A1MEP1BMAPTSMN1; SMN2
SCHEMBL11902404 0.82 L3MBTL1 (0.32) MEP1B
SCHEMBL11902785 0.82 SMN1; SMN2 (0.40) ALDH1A1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 — — EP disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO 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 (1 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO KMO 89/4885HSD17B10 171/4885KDM4E 3599/4885

“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.

Send feedback