SCHEMBL7979643

SCHEMBL7979643

CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.85
ALDH1A1 P00352 6/20 0.72
GAA P10253 2/20 0.72
NPC1 O15118 10/20 0.69
RAB9A P51151 10/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 2/20 0.61

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
SCHEMBL12660702 0.82 RAB9A (0.79) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7983639 0.79 NPC1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7996705 0.78 L3MBTL1 (1.00) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9980492 0.77 L3MBTL1 (0.98) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16197574 0.75 ALDH1A1 (0.68) LMNAALDH1A1GAANPC1RAB9A
SCHEMBL16208825 0.74 ALDH1A1 (1.00) LMNAALDH1A1GAANPC1RAB9A
SCHEMBL16208830 0.73 PKM (0.65) LMNAALDH1A1GAANPC1RAB9A
SCHEMBL16208827 0.73 NPC1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7990085 0.72 RAB9A (0.77) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL16197236 0.72 PKM (0.82) LMNAALDH1A1GAASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096585-B2 Antiviral compounds and uses thereof ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-08-04 US disclosed
US-9096585-B2 Antiviral compounds and uses thereof ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-08-04 US disclosed
US-9096585-B2 Antiviral compounds and uses thereof ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-08-04 US disclosed
US-8629283-B2 Compounds that modulate negative-sense, single-stranded RNA virus replication and uses thereof ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-01-14 US disclosed
US-20130137678-A1 Antiviral Compounds and Uses Thereof MOUNT SINAI SCHOOL OF MEDICINE (US) 2013-05-30 US disclosed
US-20130137678-A1 Antiviral Compounds and Uses Thereof MOUNT SINAI SCHOOL OF MEDICINE (US) 2013-05-30 US disclosed
US-20130137678-A1 Antiviral Compounds and Uses Thereof MOUNT SINAI SCHOOL OF MEDICINE (US) 2013-05-30 US disclosed
WO-2011150413-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE (US) 2011-12-01 WO disclosed
WO-2011150413-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE (US) 2011-12-01 WO disclosed
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2011-05-05 US disclosed
WO-2009136979-A2 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-11-12 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 (2 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-20130137678-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 LMNA 2043/4885ALDH1A1 3763/4885GAA 266/4885
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF EIF2AK2, NSUN2, ADAR LMNA 3223/4885ALDH1A1 3173/4885GAA 2412/4885

“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.