SCHEMBL5813671

SCHEMBL5813671

C/C(=N\NC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
OPRK1 P41145 1/20 0.51
MAPT P10636 1/20 0.51
GSTA1 P08263 2/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL5813681 1.00 GAA (0.58) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5809250 0.88 L3MBTL1 (0.69) GAAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5809244 0.88 L3MBTL1 (0.69) GAAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5809461 0.87 GAA (0.56) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5814385 0.87 GAA (0.56) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5812773 0.86 GAA (0.57) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5812797 0.86 GAA (0.57) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5809172 0.81 KMT2A (0.60) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL21436024 0.81 KMT2A (0.60) GAAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL5809168 0.81 KMT2A (0.60) GAAALDH1A1KDM4EL3MBTL1MEN1

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-8563472-B2 Synergistic fungicidal and algicidal compositions including 2-hydroxyphenylaldehyde and 2-hydroxyphenylketone heterocycloyhydrazones and copper DOW AGROSCIENCES, LLC. (US) 2013-10-22 US disclosed
US-8563472-B2 Synergistic fungicidal and algicidal compositions including 2-hydroxyphenylaldehyde and 2-hydroxyphenylketone heterocycloyhydrazones and copper DOW AGROSCIENCES, LLC. (US) 2013-10-22 US disclosed
WO-2012024483-A1 SYNERGISTIC FUNGICIDAL AND ALGICIDAL COMPOSITIONS INCLUDING 2-HYDROXYPHENYLALDEHYDE AND 2-HYDROXYPHENYLKETONE HETEROCYCLOYLHYDRAZONES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 WO disclosed
US-20120045521-A1 SYNERGISTIC FUNGICIDAL AND ALGICIDAL COMPOSITIONS INCLUDING 2-HYDROXYPHENYLALDEHYDE AND 2-HYDROXYPHENYLKETONE HETEROCYCLOYLHYDRAZONES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 US disclosed
US-20120045521-A1 SYNERGISTIC FUNGICIDAL AND ALGICIDAL COMPOSITIONS INCLUDING 2-HYDROXYPHENYLALDEHYDE AND 2-HYDROXYPHENYLKETONE HETEROCYCLOYLHYDRAZONES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 US disclosed
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 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-20120045521-A1 SYNERGISTIC FUNGICIDAL AND ALGICIDAL COMPOSITIONS INCLUDING 2-HYDROXYPHENYLALDEHYDE AND 2-HYDROXYPHENYLKETONE HETEROCYCLOYLHYDRAZONES AND COPPER DDT, HPD, HACL2 GAA 120/4885ALDH1A1 37/4885KDM4E 2452/4885

“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.