SCHEMBL3549276

SCHEMBL3549276

O=C(O)c1cnoc1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
KMO O15229 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PLK1 P53350 1/20 0.44
CSNK2A1 P68400 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
SCHEMBL544183 0.82 PTPN1 (0.47) NR4A2TP53PTPN1ALDH1A1
SCHEMBL3171124 0.82 IP6K1 (0.51) NR4A2KMODHODHPIN1L3MBTL1
SCHEMBL3178747 0.82 NPC1 (0.50) DCLRE1BNR4A2KMOPIN1TP53
SCHEMBL11379031 0.81 IP6K1 (0.54) KMOGPR35DHODHPIN1KDM4E
SCHEMBL3180927 0.81 BCL2L1 (0.44) GPR35DHODHKDM4EALDH1A1
SCHEMBL27849116 0.78 CFD (0.42) KDM4CKDM4EALDH1A1
SCHEMBL3552677 0.78 ALDH1A1 (0.56) GPR35DHODHPIN1TP53KDM4E
SCHEMBL25778924 0.78 SLC22A12 (0.55) PIN1ALDH1A1NOTUM
SCHEMBL25778741 0.75 MKNK1 (0.50) KMOPIM1PIM2DHODHTP53
SCHEMBL3175479 0.74 MCL1 (0.51) KDM4EALDH1A1NOTUM

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-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 DCLRE1B 3693/4885NR4A1 148/4885NR4A2 361/4885

“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.