SCHEMBL1010738

SCHEMBL1010738

Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCC4)o3)cc2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 1.00
NPC1 O15118 11/20 0.74
MAPT P10636 5/20 0.74
ALDH1A1 P00352 4/20 0.74
HPGD P15428 3/20 0.74
HSD17B10 Q99714 2/20 0.74
POLB P06746 1/20 0.74
TSHR P16473 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
KDM4E B2RXH2 2/20 0.70
GAA P10253 2/20 0.70
RAB9A P51151 10/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
TP53 P04637 3/20 0.63
USP2 O75604 1/20 0.63
ESR1 P03372 1/20 0.63

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
SCHEMBL1059586 0.99 DHODH (0.98) DHODHNPC1MAPTALDH1A1HPGD
SCHEMBL1058607 0.93 DHODH (0.86) DHODHNPC1MAPTALDH1A1HPGD
SCHEMBL1009114 0.82 TSHR (0.91) DHODHNPC1MAPTALDH1A1HPGD
SCHEMBL1062089 0.80 MAPT (0.69) DHODHNPC1MAPTALDH1A1HPGD
SCHEMBL1064443 0.80 HPGD (0.69) DHODHNPC1MAPTALDH1A1HPGD
SCHEMBL12660702 0.76 RAB9A (0.79) NPC1MAPTALDH1A1HPGDHSD17B10
SCHEMBL7983639 0.75 NPC1 (1.00) NPC1MAPTALDH1A1HPGDHSD17B10
SCHEMBL7996705 0.74 L3MBTL1 (1.00) NPC1MAPTALDH1A1HPGDHSD17B10
SCHEMBL9980492 0.74 L3MBTL1 (0.98) NPC1MAPTALDH1A1HPGDPOLB
SCHEMBL7980934 0.72 RAB9A (0.64) DHODHNPC1MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-2268272-A2 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF Mount Sinai School of Medicine of New York University (US) 2011-01-05 EP claimed
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 claimed
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-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
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
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
EP-2268272-A2 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF Mount Sinai School of Medicine of New York University (US) 2011-01-05 EP 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
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 DHODH 1163/4885NPC1 649/4885MAPT 3431/4885
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF EIF2AK2, NSUN2, ADAR DHODH 1669/4885NPC1 3196/4885MAPT 4093/4885

“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.