SCHEMBL694934

SCHEMBL694934

COC(=O)Cc1ccc(Br)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.46
EGFR P00533 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.40
EPHX1 P07099 1/20 0.40
SLC22A12 Q96S37 2/20 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
SCHEMBL13576829 0.89 KDM4E (0.53) SMN1; SMN2MAPTL3MBTL1KDM4EEGFR
SCHEMBL12508637 0.84 KDM4E (0.49) SMN1; SMN2MAPTL3MBTL1PKMKDM4E
SCHEMBL14711334 0.84 PKM (0.55) SMN1; SMN2MAPTKMT2AMEN1L3MBTL1
SCHEMBL68310 0.82 KDM4E (0.56) SMN1; SMN2MAPTL3MBTL1KDM4EEGFR
SCHEMBL8934094 0.81 CASP1 (0.48) SMN1; SMN2MAPTL3MBTL1PKMKDM4E
SCHEMBL28905013 0.81 RXFP1 (0.50) SMN1; SMN2MAPTKMT2AMEN1L3MBTL1
SCHEMBL11462750 0.80 KDM4E (0.46) SMN1; SMN2MAPTKMT2AMEN1L3MBTL1
SCHEMBL31042998 0.79 KMT2A (0.51) MAPTKMT2AMEN1PKMKDM4E
SCHEMBL965852 0.79 KMT2A (0.51) MAPTKMT2AMEN1PKMKDM4E
SCHEMBL694981 0.79 TDP1 (0.56) SMN1; SMN2MAPTKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 WO disclosed
CN-1267281-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2000-09-20 CN 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 (3 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SMN1; SMN2 3450/4885MAPT 4564/4885KMT2A 2450/4885
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A SMN1; SMN2 2776/4885MAPT 3043/4885KMT2A 2577/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 SMN1; SMN2 3026/4885MAPT 3036/4885KMT2A 3959/4885

“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.