SCHEMBL9976069

SCHEMBL9976069

COc1ccc(-c2ncc(-c3ccc([N+](=O)[O-])cc3)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
POLB P06746 2/20 0.69
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.56
GSK3B P49841 1/20 0.56
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
PTPN1 P18031 3/20 0.53
APP P05067 1/20 0.52
THRB P10828 1/20 0.52
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9146188 1.00 NPC1 (0.69) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12489677 0.89 MAPT (0.85) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1180905 0.85 KDM4E (0.72) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10911272 0.85 KMT2A (0.74) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7902911 0.83 RAB9A (0.76) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12490782 0.82 MAPT (1.00) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4875222 0.80 TSHR (0.74) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10909733 0.80 TSHR (0.74) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2603426 0.79 KDM4E (0.72) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7078511 0.79 KDM4E (0.72) NPC1RAB9AMEN1KMT2AALDH1A1

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 5 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
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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 NPC1 2614/4885RAB9A 4038/4885MAPT 3677/4885

“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.