SCHEMBL684539

SCHEMBL684539

COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.71
KDM4E B2RXH2 11/20 0.71
MAPT P10636 10/20 0.71
RAB9A P51151 6/20 0.71
HTT P42858 6/20 0.71
NPC1 O15118 4/20 0.71
MITF O75030 2/20 0.71
KLF5 Q13887 2/20 0.71
MEN1 O00255 7/20 0.64
LMNA P02545 7/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
POLB P06746 3/20 0.64
PSMD14 O00487 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ASF1A Q9Y294 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HIF1A Q16665 1/20 0.59
PGR P06401 1/20 0.58

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
SCHEMBL6571538 0.88 NPC1 (0.59) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL6571534 0.88 NPC1 (0.59) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL26974395 0.87 KMT2A (0.70) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL22179735 0.87 KDM4E (0.59) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL20587592 0.87 KDM4E (0.59) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL20587593 0.87 KDM4E (0.59) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL684843 0.86 KDM1A (0.63) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL6569120 0.86 KDM1A (0.67) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL6569124 0.86 KDM1A (0.67) KMT2AKDM4EMAPTRAB9AHTT
SCHEMBL17832046 0.84 KMT2A (0.64) KMT2AKDM4EMAPTRAB9AHTT

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 1362/4885KDM4E 1473/4885MAPT 1491/4885

“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.