SCHEMBL686278

SCHEMBL686278

C/C(=N\NC(=O)c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.67
GAA P10253 2/20 0.55
POLB P06746 2/20 0.55
CASP6 P55212 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MCL1 Q07820 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 2/20 0.52
BRD4 O60885 1/20 0.52
CYP2C9 P11712 1/20 0.52
BRD2 P25440 1/20 0.52

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
SCHEMBL9921126 0.89 KDM1A (0.66) KDM1AGAAPOLBCASP6MEN1
SCHEMBL9921091 0.88 KDM1A (0.69) KDM1AGAAMEN1KMT2ASMN1; SMN2
SCHEMBL686344 0.88 KDM1A (0.56) KDM1AGAAMEN1KMT2ASMN1; SMN2
SCHEMBL684839 0.87 KDM1A (0.83) KDM1AGAAPOLBCASP6MEN1
SCHEMBL684055 0.86 KDM1A (0.73) KDM1AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL686342 0.86 KDM1A (0.57) KDM1AGAAMEN1KMT2ASMN1; SMN2
SCHEMBL684061 0.84 KDM1A (0.70) KDM1AGAAPOLBCASP6MEN1
SCHEMBL684994 0.83 KDM1A (0.68) KDM1AGAAPOLBCASP6MEN1
SCHEMBL686443 0.82 KDM1A (0.54) KDM1AGAAMEN1KMT2ASMN1; SMN2
SCHEMBL684771 0.82 KDM1A (0.70) KDM1AGAAPOLBCASP6MEN1

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 KDM1A 484/4885GAA 670/4885POLB 4572/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885GAA 386/4885POLB 4241/4885

“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.