SCHEMBL13058481

SCHEMBL13058481

CCc1sc(-c2ccc(Cl)cc2)nc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
ALOX5 P09917 1/20 0.34
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 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
SCHEMBL3252041 1.00 HRH3 (0.39) HRH3GAAHTTALDH1A1PTGDR2
SCHEMBL13058496 0.89 PTGDR2 (0.35) HRH3ALDH1A1PTGDR2KDM4EMAPT
SCHEMBL13058547 0.87 DCK (0.33)
SCHEMBL13058535 0.85 KDM4E (0.39) GAAHTTALDH1A1KDM4EMAPT
SCHEMBL13058480 0.85 RAB9A (0.38) HRH3GAAALDH1A1KDM4EMAPT
SCHEMBL13058529 0.83 MAPT (0.35) GAAALDH1A1MAPTRAB9A
SCHEMBL16215992 0.83 HRH3 (0.41) HRH3GAAHTTALDH1A1PTGDR2
SCHEMBL10237937 0.83 HRH3 (0.41) HRH3GAAHTTALDH1A1PTGDR2
SCHEMBL608047 0.83 HRH3 (0.41) HRH3GAAHTTALDH1A1PTGDR2
SCHEMBL3749201 0.83 HRH3 (0.38) HRH3GAAALDH1A1PTGDR2KDM4E

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
EP-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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 (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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 HRH3 1662/4885GAA 509/4885HTT 733/4885

“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.