SCHEMBL3516992

SCHEMBL3516992

O=c1c(-c2ccccc2)c(O)c2cc(-c3cccc(-c4ccccc4)c3)cnc2n1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 5/20 0.40
RCE1 Q9Y256 1/20 0.40
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
AXL P30530 2/20 0.35
MET P08581 1/20 0.35
MAPT P10636 1/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL3525616 0.96 KMT2A (0.43) COMTKMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3515769 0.88 FTO (0.40) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3515126 0.87 AVPR1B (0.40) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL13461594 0.86 COMT (0.48) COMTKMT2ALMNAKDM4EGSK3B
SCHEMBL14306393 0.85 COMT (0.41) COMTKDM4EGSK3BFEN1AXL
SCHEMBL3518219 0.83 DPP4 (0.44) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL13435228 0.83 KDM4E (0.47) COMTKMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3515715 0.83 KMT2A (0.42) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3517548 0.83 KMT2A (0.44) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3519936 0.80 IP6K1 (0.41) KMT2ALMNASMN1; SMN2KDM4ERCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2015-04-02 US claimed
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2015-04-02 US disclosed
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2015-04-02 US disclosed
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2015-04-02 US disclosed
WO-2013165898-A2 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-11-07 WO disclosed
WO-2013165898-A2 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-11-07 WO disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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 (2 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL COMT 2064/4885KMT2A 2764/4885LMNA 658/4885
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES FEN1, RCE1, APEX1 COMT 4530/4885KMT2A 3994/4885LMNA 88/4885

“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.