SCHEMBL869864

SCHEMBL869864

CN(C)Cc1cc(O)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
G6PD P11413 1/20 0.50
PABPC1 P11940 1/20 0.50
KMT2A Q03164 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 1/20 0.49
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11792241 0.83 ALDH1A1 (0.67) ALDH1A1GAAKDM4EMEN1POLB
SCHEMBL29088438 0.83 ALDH1A1 (0.54) ALDH1A1GAAKDM4EMEN1POLB
SCHEMBL25474479 0.79 HDAC1 (0.37) SLC6A4SLC6A2SLC6A3CYP2C19ALOX15
SCHEMBL1513563 0.78 HSD17B3 (0.42) MEN1MAPTKMT2ATDP1ALOX15
SCHEMBL870232 0.78 ALDH1A1 (0.48) ALDH1A1GAAKDM4EMEN1POLB
Bromide SCHEMBL5350662 0.78 ALDH1A1 (0.54) ALDH1A1GAAKDM4EMEN1POLB
SCHEMBL8753514 0.76 TYR (0.39) ALOX15
SCHEMBL2527333 0.76 TYR (0.39) ALOX15HTR2C
SCHEMBL3194647 0.75 TYR (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL21241614 0.75 HSD17B3 (0.44) ALDH1A1GAAKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20140121246-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2014-05-01 US disclosed
US-8598374-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-12-03 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-23 US disclosed
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-23 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090247508-A1 Benzoimidazole Compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
EP-1673348-B1 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-7432378-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-07 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
CN-1886380-A Benzimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2006-12-27 CN disclosed
EP-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
WO-2005044807-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-19 WO disclosed
US-20050070550-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (5 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-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885GAA 4711/4885KDM4E 1377/4885
US-20140121246-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ALDH1A1 3347/4885GAA 648/4885KDM4E 4479/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 ALDH1A1 3379/4885GAA 4711/4885KDM4E 1377/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ALDH1A1 331/4885GAA 233/4885KDM4E 1494/4885
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR ALDH1A1 3347/4885GAA 648/4885KDM4E 4479/4885

“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.