SCHEMBL10145258

SCHEMBL10145258

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
MTOR P42345 4/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CYP1A2 P05177 3/20 0.39
HTT P42858 2/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
ERBB2 P04626 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL684863 0.81 SIRT1 (0.52) NPC1RAB9ASMN1; SMN2MTORMEN1
SCHEMBL685357 0.81 MEN1 (0.58) NPC1RAB9ASMN1; SMN2MTORMEN1
SCHEMBL10127197 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MTORMEN1
SCHEMBL684860 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2MTORMEN1
SCHEMBL10127409 0.80 KDM1A (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL684066 0.79 MTOR (0.53) NPC1RAB9ATDP1SMN1; SMN2MTOR
SCHEMBL10127206 0.79 MAPT (0.40) NPC1RAB9ATDP1SMN1; SMN2MEN1
SCHEMBL684714 0.78 MEN1 (0.54) NPC1RAB9ASMN1; SMN2MTORMEN1
SCHEMBL10127065 0.77 KDM1A (0.64) NPC1RAB9ASMN1; SMN2MTORMEN1
SCHEMBL685141 0.76 MTOR (0.61) NPC1RAB9ASMN1; SMN2MTORMEN1

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-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
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 NPC1 2342/4885RAB9A 4718/4885TDP1 2914/4885

“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.