SCHEMBL9976032

SCHEMBL9976032

COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
RAB9A P51151 7/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
NPC1 O15118 6/20 0.62
POLB P06746 2/20 0.62
PKM P14618 1/20 0.62
MCL1 Q07820 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 4/20 0.54
ALOX15 P16050 2/20 0.54
ALOX12 P18054 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
KDM4E B2RXH2 2/20 0.53
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52

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
SCHEMBL1662318 0.83 MAPT (0.68) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL12490766 0.83 RAB9A (0.85) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9976031 0.82 MAPT (0.60) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9975999 0.82 MAPT (0.56) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL17255173 0.81 RAB9A (0.49) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL15425052 0.80 MAPT (0.70) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL31660452 0.80 MAPT (0.70) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL27969541 0.79 PTGS2 (0.64) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL1660414 0.78 MAPT (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9975998 0.78 RAB9A (0.76) MAPTRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B MAPT 3677/4885RAB9A 4038/4885MEN1 3018/4885

“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.