SCHEMBL12501532

SCHEMBL12501532

O=C(O)c1ccc2cc3ccccc3cc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.69
▸ KDM4E B2RXH2 5/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALOX15 P16050 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ACMSD Q8TDX5 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.44
▸ MAPT P10636 2/20 0.43

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
SCHEMBL12405037 0.90 MGAM (0.63) MGAMKDM4EKMT2AMEN1CNR2
Anthracene SCHEMBL10416267 0.89 MGAM (0.89) MGAMKDM4EKMT2AMEN1CNR2
SCHEMBL9220609 0.88 MGAM (0.61) MGAMKDM4EKMT2AMEN1CNR2
SCHEMBL13475583 0.86 CNR2 (0.55) MGAMKDM4ECNR2ALDH1A1HPGD
SCHEMBL14806709 0.82 KMT2A (0.60) MGAMKDM4EKMT2AMEN1LMNA
Quinaldic Acid SCHEMBL1242670 0.82 MGAM (1.00) MGAMKDM4EKMT2AMEN1CNR2
Quinaldic Acid SCHEMBL29350584 0.82 MGAM (1.00) MGAMKDM4EKMT2AMEN1CNR2
Quinaldic Acid SCHEMBL39024 0.82 MGAM (1.00) MGAMKDM4EKMT2AMEN1CNR2
SCHEMBL13475581 0.81 CNR2 (0.64) MGAMKDM4EKMT2AMEN1CNR2
Quinaldic Acid SCHEMBL8798794 0.80 MGAM (0.96) MGAMKDM4EKMT2AMEN1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2014-02-20 — — US disclosed
WO-2012092367-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2012-07-05 — — 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-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF NSUN3, NSUN2, HNRNPF MGAM 3805/4885KDM4E 4337/4885KMT2A 3376/4885

“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.

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