SCHEMBL685003

SCHEMBL685003

COc1cccc(/C(C)=N/NC(=O)c2ccc(C)cc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
KDM1A O60341 1/20 0.53
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46

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
SCHEMBL19283317 0.91 KDM1A (0.65) RAB9AKDM1AMAPTHTTLMNA
SCHEMBL19283315 0.91 KDM1A (0.65) RAB9AKDM1AMAPTHTTLMNA
SCHEMBL684673 0.90 GAA (0.57) RAB9AKDM1AMAPTGAANPC1
SCHEMBL684593 0.90 NPC1 (0.60) RAB9AKDM1AMAPTHTTLMNA
SCHEMBL685319 0.89 SMN1; SMN2 (0.58) RAB9AKDM1AMAPTHTTLMNA
SCHEMBL684710 0.89 LMNA (0.55) RAB9AKDM1AMAPTHTTLMNA
SCHEMBL684707 0.88 RAB9A (0.58) RAB9AMAPTHTTGAANPC1
SCHEMBL684677 0.86 KDM1A (0.50) RAB9AKDM1AMAPTHTTGAA
SCHEMBL685150 0.85 MAPT (0.49) RAB9AKDM1AMAPTHTTLMNA
SCHEMBL685254 0.85 KMT2A (0.51) RAB9AKDM1AMAPTHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 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 RAB9A 3846/4885KDM1A 484/4885MAPT 1491/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885KDM1A 291/4885MAPT 921/4885

“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.