SCHEMBL4963489

SCHEMBL4963489

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCCCCN4CCCC4)cc3[nH]2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
DRD3 P35462 3/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 2/20 0.45
SMYD2 Q9NRG4 3/20 0.44
CHEK2 O96017 1/20 0.43
ATR Q13535 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL1509464 0.89 CARM1 (0.48) CARM1HDAC6DRD3HTR1AADRA2A
SCHEMBL4964915 0.87 RAB9A (0.48) CARM1HDAC6
SCHEMBL4964920 0.85 CARM1 (0.48) CARM1HDAC6CDK4CCNA2CCND1
SCHEMBL4962190 0.84 HDAC6 (0.51) CARM1HDAC6NAMPT
SCHEMBL14090564 0.84 CARM1 (0.51) CARM1HDAC6CHEK2ATRFGFR1
SCHEMBL4964897 0.83 CARM1 (0.51) CARM1HDAC6CHEK2FGFR1FGFR3
SCHEMBL4963154 0.82 HDAC6 (0.60) CARM1HDAC6
SCHEMBL4963532 0.82 HDAC6 (0.50) CARM1HDAC6NAMPT
SCHEMBL12834062 0.82 CARM1 (0.48) CARM1HDAC6DRD3HTR1AADRA2A
SCHEMBL4965539 0.81 HDAC6 (0.61) CARM1HDAC6CHEK2CDK4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US claimed

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 CARM1 785/4885HDAC6 541/4885DRD3 4310/4885

“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.