SCHEMBL3583079

SCHEMBL3583079

N#CC1=C(O)N(O)Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ RNASEH1 O60930 1/20 0.32
▸ ADRA1D P25100 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
SCHEMBL16049805 0.69 KDM4E (0.36) KMT2AKDM4EMAPTHTTALDH1A1
SCHEMBL14694391 0.68 NOTUM (0.42) KMT2AKDM4EMAPTHTTALDH1A1
SCHEMBL4725874 0.66 KMT2A (0.63) KMT2AKDM4EMAPTHTTALDH1A1
SCHEMBL14302656 0.66 KMT2A (0.42) IDO1KMT2AKDM4EMAPTHTT
SCHEMBL13819800 0.66 KMT2A (0.42) IDO1KMT2AKDM4EMAPTHTT
SCHEMBL1123547 0.66 SMN1; SMN2 (0.55) IDO1KMT2AKDM4EMAPTHTT
SCHEMBL31611980 0.66 KMT2A (0.42) IDO1KMT2AKDM4EMAPTHTT
SCHEMBL9705360 0.63 CTSL (0.47) IDO1KMT2AKDM4EHTTTSHR
SCHEMBL1536318 0.63 CA1 (0.41) MAPTALDH1A1NAMPT
SCHEMBL8309672 0.63 ALDH1A1 (0.41) IDO1KMT2AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 — — US disclosed
US-8318941-B2 Pyridone/hydroxypyridine 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-27 — — US disclosed
US-20100009960-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — US disclosed
EP-2046753-A2 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-15 — — EP disclosed
WO-2008005910-A2 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — 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 (2 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-20100009960-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD3B1 IDO1 882/4885KMT2A 3495/4885KDM4E 3609/4885
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD3B1 IDO1 882/4885KMT2A 3461/4885KDM4E 3449/4885

“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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