SCHEMBL1474730

SCHEMBL1474730

COc1ccccc1N1CCN(CCNC(=O)c2cc(-c3ccco3)on2)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
DRD2 P14416 6/20 0.67
DRD3 P35462 2/20 0.67
HTR1A P08908 4/20 0.64
ADRA1A P35348 2/20 0.64
DRD4 P21917 3/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 1/20 0.61
DRD1 P21728 1/20 0.60
ADRA2A P08913 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL1474944 0.91 ALDH1A1 (0.56) ALDH1A1DRD2DRD3HTR1AADRA1A
SCHEMBL1474491 0.87 KDM4E (0.56) ALDH1A1DRD2DRD3HTR1AADRA1A
SCHEMBL15190346 0.87 ALDH1A1 (0.60) ALDH1A1DRD2DRD3HTR1AADRA1A
SCHEMBL1477057 0.87 ALDH1A1 (0.64) ALDH1A1DRD2DRD3KDM4EHSD17B10
SCHEMBL1474506 0.85 ALDH1A1 (0.58) ALDH1A1DRD2DRD3DRD4KDM4E
SCHEMBL1475255 0.85 ALDH1A1 (0.62) ALDH1A1DRD2DRD3DRD4KDM4E
SCHEMBL1474960 0.84 ALDH1A1 (0.64) ALDH1A1HTR1AKDM4EHSD17B10LMNA
SCHEMBL1474195 0.84 DRD4 (0.58) ALDH1A1DRD2DRD3HTR1ADRD4
SCHEMBL1477101 0.84 RAB9A (0.67) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL1475081 0.81 SMN1; SMN2 (0.60) ALDH1A1DRD3HTR1ADRD4LMNA

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885DRD2 3882/4885DRD3 3114/4885

“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.