SCHEMBL684918

SCHEMBL684918

C/C(=N\NC(=O)c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM1A O60341 4/20 0.54
AGTR1 P30556 1/20 0.54
OPRK1 P41145 1/20 0.54
OGG1 O15527 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.48
CCR6 P51684 1/20 0.48

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
SCHEMBL683780 0.89 KDM1A (0.60) MTORCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL659320 0.87 KDM1A (0.55) MTORCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL684916 0.87 KDM1A (0.55) MTORCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL684919 0.87 MEN1 (0.54) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL684551 0.87 KDM1A (0.70) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL684917 0.83 KDM1A (0.61) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL684689 0.82 ALDH1A1 (0.54) CYP3A4NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL684768 0.81 SMN1; SMN2 (0.55) CYP3A4NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL683726 0.81 KDM1A (0.55) MTORCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL683865 0.81 KDM1A (0.55) CYP3A4NPC1RAB9ASMN1; SMN2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 US disclosed
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 US disclosed
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 (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 2134/4885CYP1A2 11/4885CYP3A4 48/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885CYP1A2 12/4885CYP3A4 71/4885

“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.