SCHEMBL5806705

SCHEMBL5806705

COc1ccccc1C1Nc2ccc(Br)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 4/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
HSD11B1 P28845 4/20 0.37
TACR1 P25103 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL5819324 0.78 LPL (0.36) MAPTPOLBKMT2AALDH1A1KDM4E
SCHEMBL18481933 0.77 SIRT2 (0.36) MAPTPOLBTP53ALDH1A1KDM4E
SCHEMBL17179284 0.74 GAA (0.48) MAPTMEN1POLBKMT2ATP53
SCHEMBL4555957 0.73 KMT2A (0.35) MAPTMEN1POLBKMT2ANPC1
SCHEMBL4555136 0.73 KMT2A (0.35) MAPTMEN1POLBKMT2ANPC1
SCHEMBL17179225 0.71 IDO1 (0.45) MAPTALDH1A1GAAHTTHTR2C
SCHEMBL5820664 0.70 TLR9 (0.52)
SCHEMBL6539867 0.69 AR (0.38) MAPTMEN1POLBKMT2ATP53
SCHEMBL4866562 0.68 HSP90AA1 (0.34) MAPTMEN1POLBKMT2ANPC1
SCHEMBL21948628 0.67 IDO1 (0.39) GAAHTR2C

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 MAPT 150/4885MEN1 2684/4885POLB 1733/4885

“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.