SCHEMBL3073920

SCHEMBL3073920

O=C(O)c1cnn(-c2ccccc2)c1NCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4C Q9H3R0 2/20 0.49
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
LTA4H P09960 1/20 0.49
VNN1 O95497 1/20 0.48
NAMPT P43490 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL3062669 0.90 HPGD (0.56) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL3063431 0.81 HSD11B1 (0.50) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL3063433 0.81 TSHR (0.49) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL1334269 0.78 NR4A3 (0.62) ALDH1A1HPGDRAB9ANR4A3SMN1; SMN2
SCHEMBL3076216 0.77 NR4A3 (0.54) KDM4EALDH1A1HPGDNR4A3SMN1; SMN2
SCHEMBL1522657 0.75 ALDH1A1 (0.68) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL3077126 0.74 NR4A3 (0.51) KDM4EALDH1A1HPGDNR4A3SMN1; SMN2
SCHEMBL3057694 0.73 KEAP1 (0.56) KDM4EALDH1A1HPGDKDM4CNR4A3
SCHEMBL3082725 0.73 NR4A3 (0.50) KDM4EALDH1A1HPGDNR4A3SMN1; SMN2
SCHEMBL3066180 0.73 NR4A3 (0.53) KDM4EALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101743226-B Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2012-10-10 CN claimed
CN-101743226-A Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2010-06-16 CN claimed
CN-101743226-B Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2012-10-10 CN disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
CN-101743226-A Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2010-06-16 CN disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 USP2 3062/4885KDM4E 2736/4885ALDH1A1 64/4885

“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.