SCHEMBL2890918

SCHEMBL2890918

O=[N+]([O-])c1[c]c([N+](=O)[O-])ncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
CTSB P07858 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 3/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL4927010 0.78 SMN1; SMN2 (0.35) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4925010 0.78 KMT2A (0.38) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4927318 0.78 KDM4E (0.34) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4926477 0.78 KDM4E (0.34) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4926952 0.78 ALDH1A1 (0.36) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4927715 0.78 KMT2A (0.38) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10770364 0.78 MAPT (0.38) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL58486 0.67 TSHR (0.46) KMT2AALDH1A1GAATDP1LMNA
SCHEMBL450992 0.65
SCHEMBL8013186 0.64 NCOA1 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1

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-8466177-B2 Treating and preventing viral infections THE UAB RESEARCH FOUNDATION (US) 2013-06-18 US disclosed
US-20100286212-A1 Treating and Preventing Viral Infections THE UAB RESEARCH FOUNDATION (US) 2010-11-11 US disclosed
EP-2217573-A1 TREATING AND PREVENTING VIRAL INFECTIONS The UAB Research Foundation (US) 2010-08-18 EP disclosed
WO-2009059243-A1 TREATING AND PREVENTING VIRAL INFECTIONS THE UAB RESEARCH FOUNDATION (US) 2009-05-07 WO 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-20100286212-A1 Treating and Preventing Viral Infections HAVCR2, IRF3, MAVS MEN1 3172/4885KMT2A 3809/4885KDM4E 4251/4885

“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.