SCHEMBL3176407

SCHEMBL3176407

O=C(O)c1cnoc1-c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 4/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MCL1 Q07820 2/20 0.48
ACMSD Q8TDX5 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.46
CDC25B P30305 1/20 0.45
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL3181692 0.78 MYC (0.47) KMT2AALDH1A1HPGDKDM4ENR4A2
SCHEMBL3171621 0.78 NPC1 (0.52) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3165982 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDNR4A2
SCHEMBL544183 0.75 PTPN1 (0.47) ALDH1A1NR4A2MCL1ACMSDCDC25B
SCHEMBL405542 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3546195 0.75 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL31083246 0.74 SLC22A12 (0.56) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3176502 0.74 HPGD (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL1641502 0.73 NR4A1 (0.70) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL22886785 0.72 KDM4C (0.43) SMN1; SMN2MAPK1TP53TSHRSLC22A12

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
CN-101910160-A Isoxazole derivatives as modulators of 11-beta-hydroxysteroid dehydrogenase type 1 BIOVITRUM AB PUBL 2010-12-08 CN disclosed
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP disclosed
US-20100022590-A1 Novel compounds BIOVITRUM AB (PUBL.) (SE) 2010-01-28 US disclosed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 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-20100022590-A1 Novel compounds HSD11B1, CYP11B1, HSD11B2 MEN1 3096/4885KMT2A 4690/4885ALDH1A1 164/4885

“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.