SCHEMBL3514737

SCHEMBL3514737

Nc1cccc(-c2ccc3c(c2)CN(c2cc(=O)n(OCc4ccccc4)c4ncccc24)CC3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
CHRM1 P11229 1/20 0.36
SYK P43405 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL3516254 0.83 OGFRL1 (0.36) TMEM97SIGMAR1CXCR3OPRD1
SCHEMBL3515997 0.82 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3515913 0.81 OPRK1 (0.39) TMEM97SIGMAR1LMNAOPRD1
SCHEMBL3519173 0.78 SMN1; SMN2 (0.44) KDM4ELMNATSHRHSD17B10
SCHEMBL16274674 0.74 MAPT (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3514631 0.71 ALDH1A1 (0.41) KDM4EALDH1A1LMNATSHRNPSR1
SCHEMBL3517696 0.70 ALDH1A1 (0.40) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL3519168 0.70 GPR142 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3514878 0.68 GLO1 (0.39) ALDH1A1TSHR
SCHEMBL3514697 0.68 DRD2 (0.44) HTR1ADRD4DRD3KDM4EALDH1A1

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 3 patents. 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
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 GRIN2D 4620/4885GRIN3B 4626/4885GRIN1 3793/4885

“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.