SCHEMBL17376015

SCHEMBL17376015

O=C(CBr)c1ccccc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.56
FEN1 P39748 2/20 0.56
ALDH1A1 P00352 3/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTPN1 P18031 3/20 0.45
GSK3B P49841 2/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
CXCR3 P49682 1/20 0.40
RAB9A P51151 4/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PAX8 Q06710 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL38141 0.88 ERCC5 (0.58) ERCC5FEN1ALDH1A1CES2CES1
SCHEMBL29621373 0.88 ERCC5 (0.58) ERCC5FEN1ALDH1A1CES2CES1
Bromide SCHEMBL235266 0.86 ERCC5 (0.56) ERCC5FEN1ALDH1A1CES2CES1
SCHEMBL1045114 0.77 GSK3B (0.76) ERCC5FEN1ALDH1A1CES1PTPN1
Carbon Monoxide SCHEMBL8747366 0.76 ALDH1A1 (0.68) ERCC5FEN1ALDH1A1CES2CES1
Bromoacetic Acid SCHEMBL7366623 0.76 CYP3A4 (0.57) CES2CES1PTPN1GSK3BCYP3A4
SCHEMBL7863427 0.75 GSK3B (0.52) ERCC5FEN1ALDH1A1CES2CES1
SCHEMBL1162402 0.74 CYP3A4 (0.55) ERCC5FEN1ALDH1A1CES2CES1
SCHEMBL9409754 0.73 PTPN1 (0.65) ALDH1A1CES1PTPN1GSK3BMAPT
SCHEMBL17375912 0.73 ERCC5 (0.56) ERCC5FEN1PTPN1GSK3BCXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
EP-3160477-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
WO-2015200680-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 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-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ERCC5 545/4885FEN1 1673/4885ALDH1A1 3367/4885

“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.