SCHEMBL12833465

SCHEMBL12833465

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCCN4CCCCC4CO)ccc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.41
NAMPT P43490 3/20 0.40
CARM1 Q86X55 2/20 0.40
GSK3B P49841 1/20 0.40
RAB9A P51151 2/20 0.39
CACNA1G O43497 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR3A P46098 1/20 0.38
MAPT P10636 1/20 0.38
TBK1 Q9UHD2 2/20 0.37

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
SCHEMBL14091090 0.97 CARM1 (0.40) GAASMN1; SMN2NPC1NAMPTCARM1
SCHEMBL12833480 0.89 TLR9 (0.45) NAMPTCARM1GSK3BHDAC3HDAC1
SCHEMBL12833935 0.89 CHEK1 (0.46) NAMPTCARM1GSK3BMAPT
SCHEMBL1509540 0.88 RAB9A (0.47) GAANPC1CARM1RAB9ACACNA1G
SCHEMBL12833848 0.87 GSK3B (0.42) NAMPTCARM1GSK3BHDAC3HDAC1
SCHEMBL12833839 0.87 CARM1 (0.46) NPC1NAMPTCARM1GSK3BTBK1
SCHEMBL12833899 0.86 CARM1 (0.41) NAMPTCARM1GSK3BTBK1
SCHEMBL12833808 0.86 PARP1 (0.49) NAMPTCARM1GSK3BHTR3A
SCHEMBL12833903 0.85 CDK4 (0.47) SMN1; SMN2NAMPT
SCHEMBL12833776 0.85 L3MBTL1 (0.43) SMN1; SMN2NAMPTCARM1GSK3BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 GAA 1581/4885SMN1; SMN2 3752/4885NPC1 2983/4885

“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.