SCHEMBL10162052

SCHEMBL10162052

CCc1noc(-c2cccs2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.61
MAPK1 P28482 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
RAB9A P51151 12/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
TP53 P04637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL14397959 0.87 NPC1 (0.58) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL22854566 0.85 NPC1 (0.62) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL1544104 0.85 NPC1 (0.67) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4811437 0.83 NPC1 (0.61) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2432415 0.83 NPC1 (0.61) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL10130699 0.83 NPC1 (0.57) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL15810253 0.80 NPC1 (0.54) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL10250868 0.78 NPC1 (0.49) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4820140 0.77 NPC1 (0.64) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL15810252 0.77 NPC1 (0.54) NPC1MAPK1L3MBTL1RAB9ASMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1836149-B1 PHENYLBENZOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2011-04-06 EP disclosed
US-7863328-B2 Phenylbenzoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2011-01-04 US disclosed
US-7863328-B2 Phenylbenzoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2011-01-04 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (9 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885MAPK1 2264/4885L3MBTL1 2800/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885MAPK1 2264/4885L3MBTL1 2800/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885MAPK1 2264/4885L3MBTL1 2800/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NPC1 77/4885MAPK1 3766/4885L3MBTL1 2317/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NPC1 53/4885MAPK1 2832/4885L3MBTL1 2779/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 NPC1 91/4885MAPK1 3373/4885L3MBTL1 2288/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 NPC1 53/4885MAPK1 4095/4885L3MBTL1 4385/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885MAPK1 2264/4885L3MBTL1 2800/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 NPC1 3250/4885MAPK1 196/4885L3MBTL1 1630/4885

“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.