SCHEMBL3605956

SCHEMBL3605956

COC(=O)c1ccc(Cn2nccc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
FAAH O00519 1/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46
MAPK10 P53779 2/20 0.44
USP2 O75604 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL27807343 0.77 NPBWR1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL3636330 0.72 HDAC1 (0.68) GAARAB9AMEN1KMT2ALOXL2
SCHEMBL21660351 0.72 GAA (0.53) GAARAB9AFAAHMEN1KMT2A
SCHEMBL6603633 0.71 NPBWR1 (0.52) FAAH
SCHEMBL3724300 0.71 RECQL (0.60) GAARAB9AFAAHMEN1KMT2A
SCHEMBL3604074 0.71 TEAD1 (0.41) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL3604297 0.71 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL23316996 0.70 ALDH1A1 (0.60) GAARAB9AFAAHMEN1KMT2A
SCHEMBL25411989 0.70 GAA (0.48) GAARAB9AFAAHMEN1KMT2A
SCHEMBL3609951 0.70 TUBB4A (0.39) RAB9AMEN1KMT2AALDH1A1HPGD

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298010-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-10-18 US disclosed
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-07-05 US disclosed
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-07-05 US disclosed
US-9908887-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2018-03-06 US disclosed
US-9908887-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2018-03-06 US disclosed
US-9777008-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-10-03 US disclosed
US-9777008-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-10-03 US disclosed
US-9777008-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-04-27 US disclosed
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-04-27 US disclosed
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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 (6 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-20180298010-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 GAA 2195/4885RAB9A 1296/4885FAAH 4766/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GAA 1258/4885RAB9A 1437/4885FAAH 1340/4885
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 GAA 2270/4885RAB9A 1523/4885FAAH 4753/4885
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 GAA 2270/4885RAB9A 1523/4885FAAH 4753/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GAA 1258/4885RAB9A 1437/4885FAAH 1340/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GAA 1258/4885RAB9A 1437/4885FAAH 1340/4885

“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.