SCHEMBL684817

SCHEMBL684817

C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.79
RAB9A P51151 8/20 0.69
NPC1 O15118 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C19 P33261 2/20 0.69
NFKB1 P19838 1/20 0.69
CASP3 P42574 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SENP6 Q9GZR1 1/20 0.69
KDM4E B2RXH2 4/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58

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
SCHEMBL14712657 0.88 KDM1A (1.00) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL23719208 0.88 KDM1A (1.00) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL19283326 0.88 KDM1A (1.00) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684658 0.88 KDM1A (0.83) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684476 0.87 KDM1A (0.81) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL685157 0.87 KDM1A (0.81) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL685062 0.86 RAB9A (0.61) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684487 0.86 KDM1A (0.79) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684770 0.85 NPC1 (0.69) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684549 0.84 KDM1A (0.77) KDM1ARAB9ANPC1SMN1; SMN2MEN1

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.