SCHEMBL7996705

SCHEMBL7996705

O=C(CSc1nnc(-c2ccncc2)o1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 1.00
RAB9A P51151 15/20 0.80
NPC1 O15118 13/20 0.80
POLB P06746 1/20 0.78
SMN1; SMN2 Q16637 5/20 0.76
KMT2A Q03164 1/20 0.70
ALDH1A1 P00352 4/20 0.70
ALOX15 P16050 1/20 0.70
LMNA P02545 1/20 0.69
NPSR1 Q6W5P4 1/20 0.68
TP53 P04637 3/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MAPT P10636 1/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.65

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
SCHEMBL9980492 0.99 L3MBTL1 (0.98) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL12069977 0.90 L3MBTL1 (0.82) L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7990085 0.86 RAB9A (0.77) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL12660702 0.84 RAB9A (0.79) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL7983639 0.83 NPC1 (1.00) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL7979643 0.78 LMNA (0.85) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL3455511 0.77 RAB9A (0.81) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL16383897 0.75 RAB9A (0.77) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL7978968 0.75 RAB9A (0.67) L3MBTL1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL1010738 0.74 DHODH (1.00) L3MBTL1RAB9ANPC1POLBSMN1; 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 13 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-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
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 L3MBTL1 1169/4885RAB9A 1922/4885NPC1 649/4885
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF EIF2AK2, NSUN2, ADAR L3MBTL1 446/4885RAB9A 3430/4885NPC1 3196/4885

“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.