SCHEMBL305458

SCHEMBL305458

CCc1cccc(OCCN2CCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
LTA4H P09960 7/20 0.64
HTT P42858 2/20 0.62
BACE1 P56817 1/20 0.61
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
ESR1 P03372 2/20 0.56
HRH3 Q9Y5N1 1/20 0.56
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL14970709 0.98 KDM4E (0.97) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL13766268 0.98 KDM4E (0.97) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
Hydrochloric Acid SCHEMBL14966569 0.97 KDM4E (0.94) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL12323573 0.93 KDM4E (0.86) KDM4EALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL11941565 0.87 ALDH1A1 (0.77) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL26986155 0.86 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL4283657 0.85 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL26986047 0.85 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL4286569 0.84 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2LTA4HBACE1
SCHEMBL6932153 0.84 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2LTA4HHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8227456-B2 Pharmaceutical composition for preventing and treating metabolic bone diseases containing alpha-arylmethoxyacrylate derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-07-24 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7879835-B2 treating osteoporosis, comprising administering drugs such as (E)-methyl 2-(2-((4-octylphenoxy)methyl)-3-methoxyacrylate, which inhibit osteoclast formation or resorption activity; side effect reduction KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-02-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-13 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (8 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-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 KDM4E 1873/4885ALDH1A1 721/4885SMN1; SMN2 1743/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B KDM4E 2719/4885ALDH1A1 1825/4885SMN1; SMN2 730/4885
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives CYP24A1, SOST, ACP3 KDM4E 2169/4885ALDH1A1 537/4885SMN1; SMN2 2523/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KDM4E 1791/4885ALDH1A1 780/4885SMN1; SMN2 3820/4885

“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.