SCHEMBL3515840

SCHEMBL3515840

O=c1cc(Nc2ccccc2)c2cccnc2n1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PTK6 Q13882 2/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
DNMT1 P26358 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AURKA O14965 1/20 0.36
PPIA P62937 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL16275027 0.84 CYP1A2 (0.39) PTK6ALDH1A1TSHRCTSVCTSL
SCHEMBL3516169 0.83 BRD4 (0.48) SMN1; SMN2ALDH1A1TSHRPPIAMEN1
SCHEMBL3515379 0.81 KDM4E (0.45) SMN1; SMN2ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3514631 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3517696 0.80 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3515597 0.79 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL16274597 0.76 TSHR (0.38) PTK6ALDH1A1TSHRCTSVCTSL
SCHEMBL3518140 0.76 FEN1 (0.44) ALDH1A1TSHRKDM4EAURKAMEN1
SCHEMBL3515445 0.76 OPRM1 (0.35) SMN1; SMN2ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL3519104 0.75 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1OPRM1OPRD1

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 SMN1; SMN2 1566/4885PTK6 3665/4885ALDH1A1 1486/4885

“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.