SCHEMBL763134

SCHEMBL763134

COc1cc(C)ccc1OCCN1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
LTA4H P09960 1/20 0.64
POLB P06746 3/20 0.57
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL8351425 0.94 SMN1; SMN2 (0.71) SMN1; SMN2LTA4HPOLBKDM4EL3MBTL1
SCHEMBL12409045 0.93 SMN1; SMN2 (0.74) SMN1; SMN2LTA4HPOLBKDM4EL3MBTL1
SCHEMBL13963827 0.87 SYK (0.71) SMN1; SMN2POLBKDM4EL3MBTL1ALDH1A1
SCHEMBL11817599 0.87 KDM4E (0.58) SMN1; SMN2LTA4HPOLBKDM4EL3MBTL1
SCHEMBL19700704 0.87 KDM4E (0.64) SMN1; SMN2KDM4EL3MBTL1HTTALDH1A1
SCHEMBL12726118 0.85 SMN1; SMN2 (0.71) SMN1; SMN2LTA4HPOLBKDM4EL3MBTL1
SCHEMBL14453571 0.84 SMN1; SMN2 (0.97) SMN1; SMN2KDM4EL3MBTL1HTTALDH1A1
SCHEMBL9912418 0.84 SMN1; SMN2 (0.74) SMN1; SMN2LTA4HKDM4EL3MBTL1HTT
SCHEMBL2323789 0.84 LTA4H (0.66) SMN1; SMN2LTA4HPOLBKDM4EALDH1A1
SCHEMBL264641 0.84 LTA4H (0.62) SMN1; SMN2LTA4HPOLBKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 EP disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US 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-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 SMN1; SMN2 4746/4885LTA4H 3846/4885POLB 1540/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SMN1; SMN2 2328/4885LTA4H 1365/4885POLB 2024/4885

“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.