SCHEMBL15967952

SCHEMBL15967952

O=C1CC(c2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 4/20 0.45
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CUL4A Q13619 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FGB P02675 1/20 0.39
S100A4 P26447 1/20 0.39
KEAP1 Q14145 1/20 0.39
PLEC Q15149 1/20 0.39

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
SCHEMBL23888701 0.81 DNMT3B (0.44) DNMT3BPOLBKDM4EMEN1KMT2A
SCHEMBL5727686 0.81 AR (0.62) DNMT3BKDM4EMAPTHSD17B10
SCHEMBL1021883 0.80 MEN1 (0.44) DNMT3BKDM4EMEN1KMT2AMAPT
SCHEMBL30844063 0.80 MEN1 (0.44) DNMT3BKDM4EMEN1KMT2AMAPT
SCHEMBL16464306 0.79 DNMT3B (0.42) DNMT3BPOLBKDM4EMEN1KMT2A
SCHEMBL10545611 0.78 TP53 (0.43) DNMT3BPOLBKDM4EMEN1KMT2A
SCHEMBL27353671 0.77 TP53 (0.49) DNMT3BKDM4EMEN1KMT2AMAPT
SCHEMBL5486010 0.75 HTT (0.44) DNMT3BKDM4EMEN1KMT2AMAPT
SCHEMBL4365498 0.74 AR (0.70) KDM4EMEN1KMT2AMAPTGAA
SCHEMBL14881366 0.74 GRIN2D (0.40) MEN1KMT2AGAATP53ALDH1A1

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-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 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-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS CLPP, LONP1, CLPX DNMT3B 3528/4885POLB 927/4885KDM4E 3061/4885

“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.