SCHEMBL1178656

SCHEMBL1178656

COc1cccc(-c2cc(C(=O)NCCCn3ccnc3)no2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 1.00
RAB9A P51151 6/20 1.00
KDM4E B2RXH2 3/20 0.81
NPC1 O15118 4/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
HTT P42858 1/20 0.75
HIF1A Q16665 1/20 0.75
GLA P06280 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ALDH1A1 P00352 3/20 0.67
GAA P10253 1/20 0.67
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
HPGD P15428 1/20 0.66
CYP2C19 P33261 1/20 0.66
MAPK1 P28482 2/20 0.65
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
NAMPT P43490 1/20 0.61

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
SCHEMBL1179553 0.90 KDM4E (1.00) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1178087 0.88 RAB9A (0.80) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1474942 0.87 RAB9A (1.00) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL15190235 0.86 LMNA (0.76) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1179277 0.86 LMNA (1.00) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1179157 0.86 RAB9A (0.80) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1178090 0.86 RAB9A (0.80) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1476364 0.84 LMNA (0.83) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL30087234 0.84 LMNA (0.83) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1474546 0.83 RAB9A (0.76) LMNARAB9AKDM4ENPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US claimed
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 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-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US disclosed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 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 (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-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS LMNA 2579/4885RAB9A 2717/4885KDM4E 4564/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 LMNA 2934/4885RAB9A 2013/4885KDM4E 4278/4885

“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.