SCHEMBL684649

SCHEMBL684649

COc1cc(Br)cc(/C=N/NC(=O)c2ccc(C)cc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.67
MAPT P10636 13/20 0.63
KMT2A Q03164 11/20 0.63
MEN1 O00255 9/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NPC1 O15118 6/20 0.63
HTT P42858 4/20 0.63
MITF O75030 2/20 0.63
MAPK1 P28482 2/20 0.60
KDM4E B2RXH2 6/20 0.59
RAB9A P51151 3/20 0.59
KLF5 Q13887 2/20 0.59
LMNA P02545 5/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55

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
SCHEMBL21145652 0.94 MAPT (0.73) SIRT1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL21145655 0.94 MAPT (0.73) SIRT1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL684953 0.90 SIRT1 (0.64) SIRT1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL21192738 0.89 MAPT (0.65) SIRT1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL683810 0.89 MAPT (0.65) SIRT1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL684562 0.89 MAPT (0.57) SIRT1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL12443277 0.87 KMT2A (0.73) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL21145646 0.85 MAPT (0.61) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL684559 0.85 MAPT (0.61) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11984086 0.85 HDAC3 (0.61) SIRT1MAPTKMT2AMEN1SMN1; 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
US-8906829-B2 Synergistic algicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2014-12-09 US disclosed
US-8906829-B2 Synergistic algicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2014-12-09 US disclosed
US-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 US disclosed
WO-2012024494-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 WO 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 SIRT1 2400/4885MAPT 1491/4885KMT2A 1362/4885
US-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER ALG1, SOD1, DHPS SIRT1 2120/4885MAPT 3866/4885KMT2A 2866/4885

“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.