SCHEMBL258546

SCHEMBL258546

COc1cccc(C(=O)Nc2ccsc2C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.81
RAB9A P51151 9/20 0.79
NPC1 O15118 8/20 0.79
MEN1 O00255 6/20 0.79
KMT2A Q03164 6/20 0.79
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 3/20 0.62
POLB P06746 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
MAPK10 P53779 1/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL29397956 0.90 MAPT (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL259605 0.90 MAPT (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL274082 0.82 MAPT (0.70) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL16714080 0.81 KMT2A (0.74) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4738827 0.81 MEN1 (0.67) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4743668 0.81 MEN1 (0.70) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL11246385 0.80 MEN1 (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL14075227 0.78 MEN1 (0.78) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13137734 0.78 MEN1 (0.62) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL12112027 0.77 NPC1 (0.58) MAPTRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 WO disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7037915-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20060058321-A1 Fused heterolaryl derivatives HAYAKAWA MASAHIKO 2006-03-16 US disclosed
US-20050014771-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2005-01-20 US disclosed
US-6838457-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-6770641-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-20040009978-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2004-01-15 US disclosed
US-20030236271-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2003-12-25 US disclosed
US-6608056-B1 Phosphatidylinositol 3-kinase inhibitors and carcinostatic agents YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2003-08-19 US disclosed
US-6608053-B2 Phosphatidylinositol 3-kinase (PI3K) inhibitors/anticancer agents such as N-(2-(3-benzenesulfonylaminophenyl)-4-morphoniloquinazolin-6-yl)acetamide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP disclosed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 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 (8 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-20030236271-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885
US-20060058321-A1 Fused heterolaryl derivatives PIK3CD, PIK3C2A, PIK3R1 MAPT 4063/4885RAB9A 789/4885NPC1 2418/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885
US-20050014771-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885RAB9A 613/4885NPC1 1963/4885

“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.