SCHEMBL4966403

SCHEMBL4966403

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(c6ccncc6)CC5)cc4)cc3[nH]2)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.46
ABCB1 P08183 3/20 0.46
HDAC6 Q9UBN7 1/20 0.43
HTR1A P08908 8/20 0.43
DRD2 P14416 8/20 0.43
CARM1 Q86X55 1/20 0.43
MAPT P10636 2/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
CHEK1 O14757 1/20 0.39
HPSE Q9Y251 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1509568 0.90 ABCG2 (0.44) ABCG2ABCB1HDAC6HTR1ADRD2
SCHEMBL16462882 0.83 ABCG2 (0.51) ABCG2ABCB1HDAC6CARM1ATM
SCHEMBL1509498 0.83 ABCG2 (0.48) ABCG2ABCB1HDAC6CARM1CHEK1
SCHEMBL14090388 0.81 ABCG2 (0.47) ABCG2ABCB1CARM1MAPTSMN1; SMN2
SCHEMBL14090595 0.81 TBK1 (0.47) ABCB1HDAC6MAPTSMN1; SMN2MEN1
SCHEMBL14090449 0.78 ABCG2 (0.44) ABCG2ABCB1DRD2CARM1HPSE
SCHEMBL14090446 0.78 HSD17B10 (0.45) ABCB1HDAC6MAPTSMN1; SMN2HPGD
SCHEMBL14090604 0.78 CDK4 (0.50) HTR1ACARM1MAPTHTR2ALMNA
SCHEMBL14090422 0.78 ABCG2 (0.51) ABCG2ABCB1HPSE
SCHEMBL14090421 0.78 ABCB1 (0.46) ABCG2ABCB1CARM1HPSE

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 ABCG2 3134/4885ABCB1 2579/4885HDAC6 541/4885

“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.