SCHEMBL5069807

SCHEMBL5069807

COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ccc4ccccc4c3)cc1)n2C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.50
IDH1 O75874 4/20 0.49
VDR P11473 5/20 0.47
NR1H4 Q96RI1 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGER4 P35408 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL5069788 0.92 RPS6KB1 (0.52) RPS6KB1IDH1VDRNR1H4L3MBTL1
SCHEMBL5066585 0.91 NR1H4 (0.54) IDH1VDRNR1H4L3MBTL1
SCHEMBL5517542 0.84 SIRT2 (0.55) RPS6KB1IDH1VDRNR1H4L3MBTL1
SCHEMBL12150498 0.84 L3MBTL1 (0.50) IDH1VDRNR1H4L3MBTL1MAPT
SCHEMBL5511355 0.83 L3MBTL1 (0.57) IDH1VDRNR1H4L3MBTL1MAPT
SCHEMBL791364 0.83 L3MBTL1 (0.57) IDH1VDRNR1H4L3MBTL1MAPT
SCHEMBL5065691 0.83 RPS6KB1 (0.61) RPS6KB1IDH1L3MBTL1NPSR1PTGER4
SCHEMBL5519080 0.83 MAOB (0.49) IDH1VDRNR1H4L3MBTL1MAPT
SCHEMBL5514164 0.82 L3MBTL1 (0.52) IDH1VDRNR1H4L3MBTL1MAPT
SCHEMBL5518839 0.82 L3MBTL1 (0.55) IDH1VDRNR1H4L3MBTL1MAPT

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 7 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

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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES EIF2AK2, MAVS, NSUN3 RPS6KB1 3476/4885IDH1 156/4885VDR 3893/4885
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives EIF2AK2, MAVS, NSUN3 RPS6KB1 3476/4885IDH1 156/4885VDR 3893/4885

“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.