SCHEMBL4124485

SCHEMBL4124485

O=C(O)c1ccc2nc(-c3ccccc3)cnc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 2/20 0.62
TLR9 Q9NR96 1/20 0.60
PDGFRB P09619 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
LDHA P00338 1/20 0.54
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL397896 0.94 NPC1 (0.67) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL9822836 0.88 RAB9A (0.61) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL17184384 0.88 TLR9 (0.61) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL27885428 0.86 NPC1 (0.50) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL24263606 0.85 HDAC6 (0.56) RAB9ASMN1; SMN2NPC1HPGDTLR9
SCHEMBL17184512 0.82 NPC1 (0.64) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL9939291 0.82 CHEK1 (0.55) RAB9ANPC1HPGDTLR9PDGFRB
SCHEMBL5934688 0.81 CSNK2A2 (0.51) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8502219 0.81 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
Benzene SCHEMBL27885409 0.80 RAB9A (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473504-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2012-07-11 EP disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
CN-1829709-A Bicyclic imidazol derivatives against flaviviridae GENELABS TECH INC (US) 2006-09-06 CN disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (3 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885SMN1; SMN2 2019/4885NPC1 149/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 RAB9A 1939/4885SMN1; SMN2 2173/4885NPC1 153/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885SMN1; SMN2 2019/4885NPC1 149/4885

“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.