SCHEMBL1064443

SCHEMBL1064443

CCN(CC)C(=O)CSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.69
MAPT P10636 4/20 0.69
KDM4E B2RXH2 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
LMNA P02545 1/20 0.69
HTT P42858 1/20 0.69
ALDH1A1 P00352 6/20 0.67
DHODH Q02127 1/20 0.67
GAA P10253 3/20 0.65
TSHR P16473 2/20 0.65
USP2 O75604 1/20 0.65
ESR1 P03372 1/20 0.65
TP53 P04637 1/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 2/20 0.57
HSD17B10 Q99714 2/20 0.57

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
SCHEMBL1062089 0.88 MAPT (0.69) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL1010738 0.80 DHODH (1.00) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL1059586 0.80 DHODH (0.98) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL1058607 0.79 DHODH (0.86) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL1009114 0.75 TSHR (0.91) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL3492058 0.73 NPC1 (0.61) HPGDSMN1; SMN2ALDH1A1GAATP53
SCHEMBL17068778 0.70 NPC1 (0.63) HPGDMAPTSMN1; SMN2LMNAHTT
SCHEMBL1057044 0.69 MAPT (0.52) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL16688229 0.63 KDM4E (0.57) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL11887778 0.63 NPSR1 (0.76) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGD 3616/4885MAPT 3431/4885KDM4E 2274/4885
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF EIF2AK2, NSUN2, ADAR HPGD 4107/4885MAPT 4093/4885KDM4E 935/4885

“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.