SCHEMBL12737648

SCHEMBL12737648

COc1ccc(-c2nc(C=O)c(Cl)c(NCc3ccco3)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ GAA P10253 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ MAPK1 P28482 5/20 0.43
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ MAPT P10636 7/20 0.42
▸ USP2 O75604 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE5A O76074 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HTT P42858 2/20 0.41

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
SCHEMBL12737989 0.93 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL12738233 0.93 ALDH1A1 (0.53) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL12738588 0.91 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL12738229 0.89 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL12738612 0.85 MAPT (0.52) HSD17B10ALDH1A1KDM4EHPGDGAA
SCHEMBL1609539 0.85 HSD17B10 (0.47) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL13769657 0.82 MAPT (0.46) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL12738606 0.82 ALDH1A1 (0.45) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL1610779 0.78 KDM4E (0.47) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL12737997 0.77 LMNA (0.44) HSD17B10ALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 — — 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 HSD17B10 1869/4885ALDH1A1 1562/4885KDM4E 2613/4885

“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.

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