Sugi Predict

Sugi Predict / Compounds / SCHEMBL617991

SCHEMBL617991

SCHEMBL617991

CC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 1.00
▸ HSD17B10 Q99714 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HCRTR1 O43613 1/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.54
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PABPC1 P11940 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ GLA P06280 1/20 0.51

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
SCHEMBL13836668 0.83 NPC1 (0.71) NPC1HSD17B10ALDH1A1RAB9ALMNA
SCHEMBL3065613 0.82 HSD17B10 (0.82) NPC1HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL29922395 0.79 NPC1 (0.65) NPC1HSD17B10ALDH1A1LMNAUSP2
SCHEMBL29784251 0.78 HSD17B10 (1.00) NPC1HSD17B10ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL120600 0.78 HSD17B10 (1.00) NPC1HSD17B10ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16494224 0.77 NPC1 (0.62) NPC1HSD17B10ALDH1A1LMNAUSP2
SCHEMBL541343 0.76 HSD17B10 (0.76) NPC1HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL13405521 0.76 NPC1 (0.60) NPC1HSD17B10ALDH1A1LMNAUSP2
SCHEMBL1104823 0.75 ALDH1A1 (0.71) NPC1HSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL23418617 0.75 NPC1 (0.59) NPC1HSD17B10ALDH1A1LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 — — US disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 — — US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 — — US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 — — US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 — — US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 — — US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 — — US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 — — US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 — — US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 — — US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 — — US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 — — US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 — — US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 — — EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 — — US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 — — 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 (4 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 NPC1 2863/4885HSD17B10 33/4885ALDH1A1 236/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 NPC1 2357/4885HSD17B10 1003/4885ALDH1A1 1319/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 NPC1 2357/4885HSD17B10 1003/4885ALDH1A1 1319/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 NPC1 1368/4885HSD17B10 874/4885ALDH1A1 553/4885

“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.