SCHEMBL684815

SCHEMBL684815

Cc1cccc(C(=O)N/N=C/c2c(C(F)(F)F)ccc(Cl)c2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 7/20 0.49
LMNA P02545 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 5/20 0.48
HTT P42858 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.45
PTBP1 P26599 2/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL684888 0.90 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL684012 0.89 KDM1A (0.55) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL685025 0.88 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL685301 0.87 MAPT (0.50) MAPTLMNAKMT2APOLBHTT
SCHEMBL684935 0.87 MAPT (0.53) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL684669 0.84 DUSP3 (0.56) MAPTLMNAKMT2ASMN1; SMN2POLB
SCHEMBL685304 0.83 PIK3CG (0.59) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL684667 0.82 RAB9A (0.50) MAPTLMNAKMT2ASMN1; SMN2HTT
SCHEMBL684011 0.82 NPC1 (0.53) CYP1A2CYP3A4CYP2C19MAPTLMNA
SCHEMBL683970 0.81 PIK3CG (0.51) CYP1A2CYP3A4CYP2C19MAPTLMNA

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-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 US disclosed
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 CYP1A2 11/4885CYP3A4 48/4885CYP2C19 138/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CYP1A2 12/4885CYP3A4 71/4885CYP2C19 120/4885

“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.