SCHEMBL13041508

SCHEMBL13041508

Cc1sc(-c2ccc(OC(F)F)cc2)nc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ F2RL3 Q96RI0 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ BACE1 P56817 4/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ REN P00797 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ GRM2 Q14416 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
SCHEMBL13041513 0.86 RAB9A (0.36) RAB9AMAPTALDH1A1GAAMEN1
SCHEMBL13041406 0.81 NPC1 (0.36) MAPTNPC1NPSR1HTT
SCHEMBL13041400 0.81 RAB9A (0.40) RAB9AMAPTALDH1A1GAAMEN1
SCHEMBL13041486 0.81 PPARA (0.31) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13041410 0.80 PIK3CD (0.40) MAPTALDH1A1MEN1KMT2A
SCHEMBL13041528 0.78 PPARA (0.30) —
SCHEMBL10237989 0.78 ALDH1A1 (0.38) RAB9AMAPTALDH1A1GAAKMT2A
SCHEMBL13058527 0.78 RAB9A (0.36) RAB9AMAPTALDH1A1GAAMEN1
SCHEMBL13041424 0.76 KDM4E (0.38) RAB9AMAPTALDH1A1NPC1PTPN11
SCHEMBL13077793 0.76 RAB9A (0.34) RAB9AMAPTALDH1A1GAAMEN1

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
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 RAB9A 4207/4885MAPT 3291/4885ALDH1A1 36/4885

“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