SCHEMBL214564

SCHEMBL214564

Cc1cc(OCCOCc2ccccc2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 3/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.42
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL11749413 0.86 MAOB (0.46) RAB9AMAPTL3MBTL1NPC1MAOB
SCHEMBL1894067 0.86 MAOB (0.58) RAB9AMAPTL3MBTL1NPC1HTT
SCHEMBL5936645 0.85 MEN1 (0.53) RAB9AMAPTL3MBTL1NPC1MAOB
SCHEMBL13862125 0.82 MAOB (0.43) RAB9AMAPTL3MBTL1NPC1MAOB
SCHEMBL10702555 0.82 ALDH1A1 (0.50) RAB9AMAPTL3MBTL1NPC1HTT
SCHEMBL4163135 0.80 S1PR1 (0.46) L3MBTL1MAOBTDP1KDM4EMAPK1
SCHEMBL5936691 0.79 S1PR1 (0.45) RAB9AL3MBTL1NPC1MAOBTDP1
SCHEMBL4170449 0.78 MEN1 (0.52) RAB9AMAPTL3MBTL1NPC1MAOB
SCHEMBL4756260 0.78 MAOB (0.70) RAB9AMAPTL3MBTL1NPC1MAOB
SCHEMBL7635703 0.78 TSHR (0.48) RAB9AMAPTL3MBTL1NPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 RAB9A 2213/4885MAPT 2138/4885L3MBTL1 3660/4885

“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.