SCHEMBL4130188

SCHEMBL4130188

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
SIRT2 Q8IXJ6 3/20 0.49
SIRT1 Q96EB6 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE2A O00408 1/20 0.45
HPGD P15428 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PTGER4 P35408 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRK1 P41145 3/20 0.42
OGFRL1 Q5TC84 3/20 0.42
OPRD1 P41143 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4125502 0.97 RAB9A (0.66) RAB9ANPC1SIRT2SIRT1L3MBTL1
SCHEMBL4131531 0.89 L3MBTL1 (0.56) RAB9ANPC1L3MBTL1HPGDPTGER4
SCHEMBL4135018 0.88 SIRT2 (0.51) RAB9ANPC1SIRT2SIRT1L3MBTL1
SCHEMBL4129907 0.86 SIRT2 (0.49) RAB9ANPC1SIRT2SIRT1L3MBTL1
SCHEMBL13905293 0.85 HPGD (0.52) RAB9ANPC1L3MBTL1HPGD
SCHEMBL4116973 0.85 L3MBTL1 (0.56) RAB9ANPC1L3MBTL1HPGDPTGER4
SCHEMBL13905294 0.85 RAB9A (0.48) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL4124665 0.85 BMPR2 (0.44) RAB9ANPC1L3MBTL1HPGD
SCHEMBL4130107 0.84 L3MBTL1 (0.44) RAB9ANPC1L3MBTL1HPGDPTGER4
SCHEMBL13904927 0.84 OPRM1 (0.48) RAB9ANPC1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 US 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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 RAB9A 1453/4885NPC1 2924/4885SIRT2 2626/4885
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885NPC1 149/4885SIRT2 1825/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885NPC1 149/4885SIRT2 1825/4885

“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.