SCHEMBL7980934

SCHEMBL7980934

O=C(CSc1nnc(-c2cc3ccccc3[nH]2)o1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.64
NPC1 O15118 13/20 0.64
POLB P06746 1/20 0.63
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 6/20 0.59
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.57
DHODH Q02127 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL7978968 0.79 RAB9A (0.67) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL3455511 0.75 RAB9A (0.81) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL21801493 0.74 EGFR (0.58) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL7996705 0.73 L3MBTL1 (1.00) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL21801569 0.73 GSK3B (0.54) RAB9ANPC1ALDH1A1HPGDLMNA
SCHEMBL9980492 0.72 L3MBTL1 (0.98) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL1010738 0.72 DHODH (1.00) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL7990085 0.72 RAB9A (0.77) RAB9ANPC1POLBALDH1A1SMN1; SMN2
SCHEMBL1059586 0.71 DHODH (0.98) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL27269838 0.71 ALOX15 (0.37) POLBALDH1A1LMNASMN1; SMN2KDM4E

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 649/4885POLB 169/4885
US-20110105423-A1 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF EIF2AK2, NSUN2, ADAR RAB9A 3430/4885NPC1 3196/4885POLB 139/4885

“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.