SCHEMBL4286288

SCHEMBL4286288

O=C(O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.46
GRIN3B O60391 6/20 0.46
GRIN1 Q05586 6/20 0.46
GRIN2A Q12879 6/20 0.46
GRIN2B Q13224 6/20 0.46
GRIN2C Q14957 6/20 0.46
GRIN3A Q8TCU5 6/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RNASEH1 O60930 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PTPN1 P18031 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14065345 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5546762 0.88 MEN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5540939 0.87 RNASEH1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4297249 0.85 KDM5A (0.54) KDM4ETDP1MAPT
SCHEMBL5545679 0.84 MEN1 (0.64) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL5545946 0.84 NPC1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5545813 0.83 NPC1 (0.56) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL5547071 0.83 KMT2A (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14222923 0.82 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5545845 0.82 MEN1 (0.50) MEN1KMT2ARXFP1RNASEH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 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 (3 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 GRIN2D 3704/4885GRIN3B 3319/4885GRIN1 1485/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 GRIN2D 3747/4885GRIN3B 3338/4885GRIN1 1477/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 GRIN2D 3704/4885GRIN3B 3319/4885GRIN1 1485/4885

“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.