SCHEMBL686327

SCHEMBL686327

C/C(=N\NC(=O)c1ccccc1Br)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM1A O60341 2/20 0.51
GAA P10253 3/20 0.48
MTOR P42345 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HTT P42858 2/20 0.47
OPRK1 P41145 1/20 0.47
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL686617 0.90 KDM1A (0.56) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL686583 0.87 KDM1A (0.52) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL9920837 0.86 KDM1A (0.57) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL9921091 0.85 KDM1A (0.69) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL684057 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL686267 0.83 MTOR (0.56) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL684064 0.83 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL686342 0.83 KDM1A (0.57) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL684489 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM1AGAA
SCHEMBL684056 0.82 KDM1A (0.71) NPC1RAB9ASMN1; SMN2KDM1AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 NPC1 1690/4885RAB9A 3846/4885SMN1; SMN2 4107/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885RAB9A 3616/4885SMN1; SMN2 3775/4885

“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.