SCHEMBL9976010

SCHEMBL9976010

O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 5/20 0.70
HPGD P15428 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
TNKS O95271 1/20 0.60
PARP1 P09874 1/20 0.60
CSNK2A2 P19784 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A1 P68400 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP19A1 P11511 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4987022 0.84 GABRP (0.62) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2465240 0.83 HPGD (1.00) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL435366 0.83 HPGD (1.00) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28866455 0.82 MAPT (0.61) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28866457 0.82 MAPT (0.61) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10144892 0.81 MAOA (0.71) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10144977 0.81 KDM4E (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4991870 0.81 MAOA (0.71) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9976005 0.81 KDM4E (0.78) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9976007 0.81 KDM4E (0.78) MAPTALDH1A1KDM4EHPGDSMN1; SMN2

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 MAPT 3677/4885ALDH1A1 2789/4885KDM4E 427/4885

“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.