SCHEMBL684489

SCHEMBL684489

C/C(=N\NC(=O)c1ccccc1Br)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KDM1A O60341 1/20 0.65
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.53
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL684855 0.89 KDM1A (0.74) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL23701490 0.89 KDM1A (0.74) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL684057 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL684064 0.86 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL684056 0.85 KDM1A (0.71) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL684019 0.85 KDM1A (0.57) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL685049 0.83 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL683729 0.83 KDM1A (0.67) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL684817 0.82 KDM1A (0.79) NPC1RAB9ASMN1; SMN2KDM1ALMNA
SCHEMBL686327 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM1ALMNA

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-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 (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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 NPC1 1690/4885RAB9A 3846/4885SMN1; SMN2 4107/4885

“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.