SCHEMBL686267

SCHEMBL686267

C/C(=N\NC(=O)c1ccc(Br)cc1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.56
RAB9A P51151 6/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
NFKB1 P19838 1/20 0.53
CASP3 P42574 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
KDM1A O60341 2/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 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
SCHEMBL684702 0.93 MTOR (0.59) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL686342 0.92 KDM1A (0.57) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL686443 0.89 KDM1A (0.54) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9921126 0.88 KDM1A (0.66) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9921091 0.88 KDM1A (0.69) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL685062 0.87 RAB9A (0.61) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10166009 0.86 MAPT (0.56) MTORRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL684709 0.84 MTOR (0.57) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL685135 0.84 RAB9A (0.57) MTORRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL686327 0.83 NPC1 (0.56) MTORRAB9AMEN1KMT2ASMN1; SMN2

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 MTOR 2134/4885RAB9A 3846/4885MEN1 536/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885RAB9A 3616/4885MEN1 508/4885

“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.