SCHEMBL1180378

SCHEMBL1180378

COc1ccc(C(=O)Cn2nnc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 1.00
MGAM O43451 11/20 1.00
AMY1A P0DUB6 11/20 1.00
SI P14410 11/20 1.00
MGAM2 Q2M2H8 11/20 1.00
RAB9A P51151 6/20 0.74
NPC1 O15118 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
ATM Q13315 1/20 0.64
F12 P00748 1/20 0.62
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60

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
SCHEMBL8233564 0.87 GAA (0.77) GAAMGAMAMY1ASIMGAM2
SCHEMBL1180508 0.86 GAA (0.76) GAAMGAMAMY1ASIMGAM2
SCHEMBL18475634 0.85 GAA (0.94) GAAMGAMAMY1ASIMGAM2
SCHEMBL12093975 0.84 GAA (1.00) GAAMGAMAMY1ASIMGAM2
SCHEMBL27319338 0.82 GAA (0.78) GAAMGAMAMY1ASIMGAM2
SCHEMBL2494948 0.77 MGAM (1.00) GAAMGAMAMY1ASIMGAM2
SCHEMBL21608863 0.76 GAA (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL1689837 0.75 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL7317724 0.75 HDAC3 (1.00) GAAMGAMAMY1ASIMGAM2
SCHEMBL12093976 0.75 GAA (0.70) GAAMGAMAMY1ASIMGAM2

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
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 GAA 286/4885MGAM 1918/4885AMY1A 463/4885

“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.