SCHEMBL8043279

SCHEMBL8043279

Cc1ccc(-c2csc(N3CCN(C)CC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
AR P10275 5/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL18674668 0.88 AR (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL14183837 0.86 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL12669971 0.84 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL12632067 0.84 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL2157208 0.84 ALDH1A1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL17536090 0.84 RAB9A (0.60) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL18674640 0.84 AR (0.74) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6407201 0.83 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL2559636 0.83 RAB9A (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL6407199 0.83 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1POLB

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-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 US disclosed
US-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 US disclosed
EP-2240491-B1 TETRAHYDROFURO(2,3-b)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2015-07-15 EP disclosed
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 US disclosed
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 US disclosed
US-20130252969-A1 Compounds AMURA THERAPEUTICS LIMITED (GB) 2013-09-26 US disclosed
US-20130252969-A1 Compounds AMURA THERAPEUTICS LIMITED (GB) 2013-09-26 US disclosed
US-8501744-B2 Piperazine compounds AMURA THERAPEUTICS, LIMITED (GB) 2013-08-06 US disclosed
US-8501744-B2 Piperazine compounds AMURA THERAPEUTICS, LIMITED (GB) 2013-08-06 US disclosed
EP-2078023-B1 TETRAHYDROFURO (3, 2-B) PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2012-12-26 EP disclosed
US-20110077254-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-03-31 US disclosed
US-20110077254-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-03-31 US disclosed
US-7799791-B2 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2010-09-21 US disclosed
US-7799791-B2 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2010-09-21 US disclosed
US-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US disclosed
US-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases AMURA THERAPEUTICS LIMITED (GB) 2009-07-23 US disclosed
WO-2009087379-A2 TETRAHYDROFURO (3, 2 -B) PYRROL- 3 -ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LIMITED (GB) 2009-07-16 WO disclosed
WO-2008007107-A1 TETRAHYDROFURO (3, 2-B) PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 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-20090186831-A1 Tetrahydrofuro(3,2-B) pyrrol-3-one derivatives as inhibitors of cysteine proteinases TMPRSS6, CCR6, MMP8 RAB9A 1975/4885SMN1; SMN2 1590/4885NPC1 1985/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 RAB9A 365/4885SMN1; SMN2 319/4885NPC1 159/4885
US-20110077254-A1 COMPOUNDS CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 RAB9A 216/4885SMN1; SMN2 312/4885NPC1 82/4885
US-20130252969-A1 Compounds CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9 RAB9A 220/4885SMN1; SMN2 318/4885NPC1 81/4885

“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.