SCHEMBL5069788

SCHEMBL5069788

COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.52
IDH1 O75874 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
VDR P11473 4/20 0.48
NR1H4 Q96RI1 4/20 0.48
PTGER4 P35408 2/20 0.45
HTR3A P46098 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL5069807 0.92 RPS6KB1 (0.50) RPS6KB1IDH1L3MBTL1VDRNR1H4
SCHEMBL5517542 0.91 SIRT2 (0.55) RPS6KB1IDH1L3MBTL1VDRNR1H4
SCHEMBL12150498 0.91 L3MBTL1 (0.50) IDH1L3MBTL1VDRNR1H4HTR3A
SCHEMBL5511355 0.91 L3MBTL1 (0.57) IDH1L3MBTL1VDRNR1H4PTGER4
SCHEMBL791364 0.91 L3MBTL1 (0.57) IDH1L3MBTL1VDRNR1H4PTGER4
SCHEMBL5519080 0.90 MAOB (0.49) IDH1L3MBTL1VDRNR1H4HTR3A
SCHEMBL5518839 0.90 L3MBTL1 (0.55) IDH1L3MBTL1VDRNR1H4PTGER4
SCHEMBL5519048 0.89 L3MBTL1 (0.54) IDH1L3MBTL1VDRNR1H4PTGER4
SCHEMBL5526918 0.88 CHEK2 (0.52) L3MBTL1VDRNR1H4
SCHEMBL14382913 0.88 NR1H4 (0.54) IDH1L3MBTL1VDRNR1H4PTGER4

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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives SMITHKLINE BEECHAM CORPORATION 2005-07-14 US disclosed
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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 (4 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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES EIF2AK2, MAVS, NSUN3 RPS6KB1 3476/4885IDH1 156/4885L3MBTL1 1314/4885
US-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 RPS6KB1 1818/4885IDH1 666/4885L3MBTL1 1110/4885
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives EIF2AK2, MAVS, NSUN3 RPS6KB1 3476/4885IDH1 156/4885L3MBTL1 1314/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 RPS6KB1 1818/4885IDH1 666/4885L3MBTL1 1110/4885

“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.