SCHEMBL1259643

SCHEMBL1259643

O=[C]NCc1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
AGXT P21549 1/20 0.49
HTR2B P41595 3/20 0.45
HTR1A P08908 1/20 0.45
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2A6 P11509 2/20 0.41
FLT3 P36888 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 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
SCHEMBL6006761 0.83 LOXL2 (0.53) LOXL2AGXTHTR2BHTR1ATP53
SCHEMBL349601 0.77 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1AHPGD
SCHEMBL1094238 0.77 LOXL2 (0.58) LOXL2AGXTHTR2BHTR1ATP53
SCHEMBL18415492 0.76 USP2 (0.54) LOXL2AGXTTP53HPGDSMN1; SMN2
SCHEMBL14045098 0.75 LOXL2 (0.51) LOXL2AGXTHTR2BHTR1ATP53
SCHEMBL793695 0.75 TP53 (0.55) LOXL2AGXTTP53HPGDSMN1; SMN2
SCHEMBL13973311 0.74 LOXL2 (0.55) LOXL2AGXTHTR2BHTR1ASMN1; SMN2
SCHEMBL2090461 0.74 LOXL2 (0.64) LOXL2AGXTHTR2BHTR1AHPGD
Oxalic Acid SCHEMBL6704250 0.73 TP53 (0.50) LOXL2AGXTTP53HPGDSMN1; SMN2
SCHEMBL14075637 0.73 LOXL2 (0.69) LOXL2AGXTHTR2BHTR1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 LOXL2 4091/4885AGXT 2313/4885HTR2B 3436/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 LOXL2 2294/4885AGXT 687/4885HTR2B 922/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX LOXL2 2512/4885AGXT 3391/4885HTR2B 1432/4885

“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.