SCHEMBL684056

SCHEMBL684056

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

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.71
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL684019 0.90 KDM1A (0.57) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL685116 0.90 KDM1A (0.78) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL684057 0.87 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL685112 0.87 KDM1A (0.74) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL684064 0.86 RAB9A (0.58) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL684051 0.86 KDM1A (0.73) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL684489 0.85 NPC1 (0.67) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL684768 0.84 SMN1; SMN2 (0.55) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL685059 0.83 KDM1A (1.00) KDM1ARAB9ANPC1HTTMAPT
SCHEMBL15772966 0.83 KDM1A (1.00) KDM1ARAB9ANPC1HTTMAPT

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 KDM1A 484/4885RAB9A 3846/4885NPC1 1690/4885

“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.