SCHEMBL3519938

SCHEMBL3519938

O=c1c(-c2ccccc2)c(O)c2cc(C=Cc3ccccc3)cnc2n1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.41
KDM4E B2RXH2 4/20 0.41
RCE1 Q9Y256 1/20 0.41
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
GFER P55789 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3519936 1.00 IP6K1 (0.41) IP6K1KDM4ERCE1KMT2ALMNA
SCHEMBL3525616 0.83 KMT2A (0.43) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3515715 0.81 KMT2A (0.42) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL13435228 0.81 KDM4E (0.47) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3517548 0.81 KMT2A (0.44) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3517390 0.81 KDM4E (0.41) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3518351 0.81 KDM4E (0.47) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3516992 0.80 COMT (0.43) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3515769 0.76 FTO (0.40) KDM4ERCE1KMT2ALMNASMN1; SMN2
SCHEMBL3515126 0.76 AVPR1B (0.40) KDM4ERCE1KMT2ALMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL IP6K1 1725/4885KDM4E 2380/4885RCE1 283/4885

“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.