SCHEMBL684689

SCHEMBL684689

C/C(=N\NC(=O)c1cccc(Cl)c1O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ KDM1A O60341 4/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ PTGS1 P23219 1/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43

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
SCHEMBL684560 0.92 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL684079 0.91 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL685082 0.88 KDM1A (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL685332 0.88 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL684513 0.87 KMT2A (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL684768 0.86 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL683780 0.85 KDM1A (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL684551 0.84 KDM1A (0.70) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL684025 0.84 KDM1A (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL684920 0.84 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 — — US disclosed
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 — — US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 — — US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 — — 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 (2 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 ALDH1A1 127/4885MEN1 536/4885KMT2A 1362/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ALDH1A1 115/4885MEN1 508/4885KMT2A 1224/4885

“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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