SCHEMBL685090

SCHEMBL685090

COc1ccc(O)c(C(=O)N/N=C(\C)c2cc(Cl)cc(Cl)c2O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
FADS1 O60427 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
P2RX1 P51575 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.45
POLB P06746 3/20 0.44
CASP6 P55212 2/20 0.44
MCL1 Q07820 1/20 0.44
HPGD P15428 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL685050 0.91 KDM4E (0.53) KDM1ASMN1; SMN2HTTNPC1MAPT
SCHEMBL684025 0.88 KDM1A (0.63) KDM1ASMN1; SMN2HTTNPC1MAPT
SCHEMBL685324 0.86 GAA (0.54) KDM1ASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL685082 0.82 KDM1A (0.58) KDM1ASMN1; SMN2HTTNPC1MAPT
SCHEMBL685158 0.81 GPR39 (0.59) KDM1ASMN1; SMN2HTTNPC1MAPT
SCHEMBL684586 0.81 KDM1A (0.55) KDM1AFADS1SMN1; SMN2NPC1MAPT
SCHEMBL684920 0.81 SMN1; SMN2 (0.52) KDM1ASMN1; SMN2HTTNPC1MAPT
SCHEMBL683856 0.80 KDM1A (0.66) KDM1AFADS1SMN1; SMN2HTTNPC1
SCHEMBL685339 0.80 KDM1A (0.55) KDM1ASMN1; SMN2HTTNPC1MAPT
SCHEMBL685332 0.80 SMN1; SMN2 (0.48) KDM1ASMN1; SMN2HTTNPC1MAPT

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 KDM1A 484/4885FADS1 3623/4885SMN1; SMN2 4107/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885FADS1 3460/4885SMN1; 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.