SCHEMBL684061

SCHEMBL684061

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.70
GAA P10253 2/20 0.59
POLB P06746 2/20 0.59
CASP6 P55212 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 3/20 0.58
RAB9A P51151 2/20 0.58
MCL1 Q07820 2/20 0.58
KDM4E B2RXH2 2/20 0.58
PKM P14618 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP3A4 P08684 2/20 0.55
BRD4 O60885 1/20 0.55
CYP2C9 P11712 1/20 0.55
BRD2 P25440 1/20 0.55

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
SCHEMBL684839 0.91 KDM1A (0.83) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL684832 0.90 KDM1A (0.77) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL684595 0.90 MAPT (0.62) KDM1AGAASMN1; SMN2MAPTALDH1A1
SCHEMBL684994 0.87 KDM1A (0.68) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL683934 0.86 KDM1A (0.70) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL684771 0.86 KDM1A (0.70) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL685005 0.86 KDM1A (0.74) KDM1AGAASMN1; SMN2MAPTALDH1A1
SCHEMBL684591 0.85 KDM1A (0.65) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL686278 0.84 KDM1A (0.67) KDM1AGAAPOLBCASP6SMN1; SMN2
SCHEMBL683836 0.84 KDM1A (0.67) KDM1AGAAPOLBCASP6SMN1; 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 3 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
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.