SCHEMBL7990085

SCHEMBL7990085

O=C(CSc1nnc(-c2cccnc2)o1)N1CCCC1

nearest known ligand 0.98

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.77
NPC1 O15118 11/20 0.77
L3MBTL1 Q9Y468 1/20 0.75
POLB P06746 1/20 0.75
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 1/20 0.67
MAPT P10636 1/20 0.67
ALDH1A1 P00352 3/20 0.64
NPSR1 Q6W5P4 1/20 0.63
KMT2A Q03164 1/20 0.62
GAA P10253 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 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
SCHEMBL7996705 0.86 L3MBTL1 (1.00) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL9980492 0.85 L3MBTL1 (0.98) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL20011254 0.82 ALDH1A1 (0.64) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL22607227 0.81 ALDH1A1 (0.76) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL12660702 0.78 RAB9A (0.79) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL7983639 0.77 NPC1 (1.00) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL12069977 0.77 L3MBTL1 (0.82) RAB9ANPC1L3MBTL1SMN1; SMN2TP53
SCHEMBL3455511 0.76 RAB9A (0.81) RAB9ANPC1L3MBTL1POLBSMN1; SMN2
SCHEMBL17068797 0.75 TP53 (0.68) RAB9ANPC1L3MBTL1SMN1; SMN2TP53
SCHEMBL9058883 0.73 HTT (0.79) RAB9ANPC1L3MBTL1POLBSMN1; 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 RAB9A 1922/4885NPC1 649/4885L3MBTL1 1169/4885
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF EIF2AK2, NSUN2, ADAR RAB9A 3430/4885NPC1 3196/4885L3MBTL1 446/4885

“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.