SCHEMBL10127409

SCHEMBL10127409

C/C(=N\NC(=O)c1csc(C)c1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL683865 0.82 KDM1A (0.55) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL684917 0.82 KDM1A (0.61) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL10127201 0.82 KDM1A (0.49) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL684551 0.81 KDM1A (0.70) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL683726 0.80 KDM1A (0.55) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL10145258 0.80 NPC1 (0.45) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL10127206 0.80 MAPT (0.40) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL684916 0.80 KDM1A (0.55) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL659320 0.80 KDM1A (0.55) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL683780 0.79 KDM1A (0.60) KDM1ASMN1; SMN2KMT2AALDH1A1MEN1

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
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

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 KDM1A 1942/4885SMN1; SMN2 4387/4885KMT2A 1563/4885

“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.