SCHEMBL12838299

SCHEMBL12838299

O=c1nc(O)c2c([nH]1)oc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GLA P06280 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PGAM1 P18669 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MGAM O43451 1/20 0.38

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
SCHEMBL1520200 0.80 L3MBTL1 (0.40) MAOAL3MBTL1TDP1CA12CA1
SCHEMBL19824410 0.79 KDM4E (0.53) MAOAL3MBTL1TDP1CA12CA1
SCHEMBL18018247 0.70 HCAR2 (0.45) MAOAL3MBTL1TDP1CA12CA9
SCHEMBL2002523 0.69 KDM4E (0.52) MAOAL3MBTL1TDP1CA12CA9
SCHEMBL10614221 0.68 MAOA (0.54) MAOATDP1KDM5AGAAMGAM
SCHEMBL15024931 0.67 ALDH1A1 (0.44) MAOAL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL31606608 0.67 ALDH1A1 (0.44) MAOAL3MBTL1TDP1ALDH1A1KDM4E
Carsalam SCHEMBL17844931 0.67 CA12 (0.48) MAOACA12CA1CA9KDM5A
Benzoylenurea SCHEMBL29947820 0.67 ALDH1A1 (0.58) TDP1CA12CA9ALDH1A1KDM4E
Benzoylenurea SCHEMBL357451 0.67 ALDH1A1 (0.58) TDP1CA12CA9ALDH1A1KDM4E

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-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 — — 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT MAOA 16/4885L3MBTL1 1178/4885TDP1 862/4885

“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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