SCHEMBL5824183

SCHEMBL5824183

COc1ccccc1-c1cc2cc(C3=CCCN(CCN(C)C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.39
CDK9 P50750 12/20 0.39
ABCB1 P08183 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHEK1 O14757 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD2 P14416 1/20 0.34

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
SCHEMBL5821626 0.94 CCNT1 (0.42) CCNT1CDK9ABCB1SIGMAR1KDM4E
SCHEMBL5950685 0.88 KDM4E (0.39) CCNT1CDK9ABCB1SIGMAR1KDM4E
SCHEMBL5822824 0.85 CCNT1 (0.45) CCNT1CDK9ABCB1SIGMAR1KDM4E
SCHEMBL5950590 0.82 CDK9 (0.38) CCNT1CDK9ABCB1SIGMAR1KDM4E
SCHEMBL5817065 0.82 ABCB1 (0.47) CCNT1CDK9ABCB1KDM4EMEN1
SCHEMBL5818162 0.82 TLR9 (0.45) CCNT1CDK9SIGMAR1KDM4EMEN1
SCHEMBL5821180 0.80 ABCB1 (0.36) CCNT1CDK9ABCB1SIGMAR1KDM4E
SCHEMBL5820172 0.80 TLR9 (0.41) CCNT1CDK9ABCB1SIGMAR1KDM4E
SCHEMBL5821411 0.79 CCNT1 (0.45) CCNT1CDK9
SCHEMBL5950514 0.79 HTR1A (0.40) CCNT1CDK9ABCB1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 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 (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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 CCNT1 263/4885CDK9 1060/4885ABCB1 3406/4885

“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.