SCHEMBL684868

SCHEMBL684868

CC(C)(C)N(/N=C/c1ccccc1O)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CTRC Q99895 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 2/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 5/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9500714 0.70 POLB (0.47) HPGDALDH1A1POLBCYP1A2SMN1; SMN2
SCHEMBL23623780 0.70 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL10932488 0.68 TSHR (0.53) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL21847304 0.68 KDM4E (0.33) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL21847171 0.68 MEN1 (0.34) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL11347044 0.66 CTRC (0.45) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL2498832 0.66 CA12 (0.53) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL14011732 0.66 CA12 (0.53) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL9482973 0.66 CA12 (0.53) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL19840166 0.66 CA12 (0.53) KMT2AMEN1NPC1RAB9AGAA

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-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 (1 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 KMT2A 1362/4885MEN1 536/4885NPC1 1690/4885

“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.