SCHEMBL685046

SCHEMBL685046

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.52
MTOR P42345 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
ESRRG P62508 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13285465 0.91 KDM1A (0.50) KDM1AMTORSMN1; SMN2MEN1KMT2A
SCHEMBL683726 0.89 KDM1A (0.55) KDM1AMTORSMN1; SMN2MEN1KMT2A
SCHEMBL684917 0.89 KDM1A (0.61) KDM1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL683865 0.86 KDM1A (0.55) KDM1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL684919 0.85 MEN1 (0.54) KDM1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL684551 0.85 KDM1A (0.70) KDM1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL684055 0.84 KDM1A (0.73) KDM1AMTORSMN1; SMN2MEN1KMT2A
SCHEMBL684040 0.84 CYP3A4 (0.57) KDM1AMTORSMN1; SMN2MEN1KMT2A
SCHEMBL684512 0.84 MEN1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL685324 0.83 GAA (0.54) KDM1ASMN1; SMN2MEN1KMT2AALDH1A1

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 3 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

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 KDM1A 484/4885MTOR 2134/4885SMN1; SMN2 4107/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885MTOR 2360/4885SMN1; SMN2 3775/4885

“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.