SCHEMBL6676384

SCHEMBL6676384

CN(C)CCNC(=O)Cc1ccc(Nc2nc3ccccc3[n+]([O-])n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TGM2 P21980 1/20 0.38
KCNH2 Q12809 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
BRAF P15056 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MOK Q9UQ07 1/20 0.38

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
SCHEMBL6679169 0.86 KDM4E (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6674874 0.82 PDE4B (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6678946 0.74 NCF1 (0.44) NPC1POLBRAB9AGAA
SCHEMBL6680537 0.72 NPY5R (0.47) AURKAKDM4ENPC1POLBRAB9A
SCHEMBL6677271 0.72 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11570271 0.71 KCNH2 (0.69) HDAC8HDAC6KCNH2KDM4ESMN1; SMN2
SCHEMBL5455350 0.70 IDO1 (0.40) KDM4EPOLBSMN1; SMN2MOKMAPT
SCHEMBL6675510 0.70 RAD52 (0.51) KCNH2NPC1POLBRAB9AMAPK1
Hydrochloric Acid SCHEMBL11570396 0.70 KCNH2 (0.67) HDAC8HDAC6KCNH2KDM4ESMN1; SMN2
SCHEMBL5118511 0.67 MERTK (0.47) KCNH2

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
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 HDAC3 1292/4885HDAC4 340/4885HDAC1 389/4885

“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.