SCHEMBL3558857

SCHEMBL3558857

CC(C(=O)O)c1c[nH]c2cccc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
APAF1 O14727 1/20 0.38
GAA P10253 4/20 0.38
MGAM O43451 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
CLK1 P49759 2/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
DNMT1 P26358 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL8580035 0.82 FFAR1 (0.45) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL3639561 0.82 FFAR1 (0.45) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL25613921 0.80 CYP2A6 (0.50) CYP2A6CLK1CDK5CDK5R1SLC6A4
SCHEMBL27407548 0.78 CYP2A6 (0.40) CYP2A6GAAMGAMSIMGAM2
SCHEMBL15149195 0.77 KDM4E (0.40) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL1819570 0.77 BACE1 (0.44) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL18684707 0.75 CYP2A6 (0.43) CYP2A6CLK1CDK5CDK5R1ALDH1A1
SCHEMBL29885154 0.74 GPR84 (0.59) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL368690 0.74 GPR84 (0.59) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL3570131 0.74 CYP2A6 (0.44) CYP2A6CLK1CDK5CDK5R1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 CN disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 CYP2A6 885/4885MAPT 2921/4885KDM4E 2963/4885

“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.