SCHEMBL685235

SCHEMBL685235

O=C(N/N=C/c1c(O)cc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RRM1 P23921 1/20 0.48
GCGR P47871 2/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL14906890 0.85 GCGR (0.53) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL14907002 0.85 KDM4E (0.50) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL684571 0.83 CYP1A2 (0.61) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL20299177 0.81 MGAM (0.60) KDM1ANPC1KDM4EMEN1KMT2A
SCHEMBL20299179 0.81 MGAM (0.60) KDM1ANPC1KDM4EMEN1KMT2A
SCHEMBL6570260 0.81 NPC1 (0.77) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL685119 0.81 NPC1 (0.77) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6570259 0.81 NPC1 (0.77) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL684572 0.80 NPC1 (0.54) KDM1ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL684659 0.80 KDM1A (0.70) KDM1ACYP1A2CYP3A4CYP2C19NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 US disclosed
US-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 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
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120009274-A1 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 484/4885CYP1A2 11/4885CYP3A4 48/4885
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885CYP1A2 12/4885CYP3A4 71/4885

“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.