SCHEMBL1623866

SCHEMBL1623866

COc1ncc(-c2ccc(C(C)(C)C)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
FTO Q9C0B1 3/20 0.47
TDO2 P48775 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
DGAT1 O75907 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
XDH P47989 1/20 0.40
MAP4K4 O95819 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1622275 0.79 MKNK1 (0.54) KIF11TDO2RAB9ASLC22A12KDM4E
SCHEMBL9906413 0.79 TUBB4A (0.37) FTOTDO2ALKBH5RAB9AKMT2A
SCHEMBL14062411 0.78 KIF11 (0.54) KIF11DGAT1CA12CA9XDH
SCHEMBL14062481 0.78 NPC1 (0.54) KIF11DGAT1CA12CA9XDH
SCHEMBL12632482 0.78 KIF11 (0.54) KIF11DGAT1CA12CA9XDH
SCHEMBL12951065 0.78 NPSR1 (0.56) FTOALKBH5MAP4K4NPC1RAB9A
SCHEMBL14062483 0.78 KIF11 (0.54) KIF11DGAT1CA12CA9XDH
SCHEMBL1622162 0.76 QPCT (0.52) TDO2DGAT1KMT2AMEN1MAPT
SCHEMBL997839 0.76 FTO (0.50) FTOTDO2ALKBH5MAP4K4NPC1
SCHEMBL16295544 0.76 KIF11 (0.52) KIF11DGAT1CA12CA9XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-9089569-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-28 US disclosed
US-9089569-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-28 US disclosed
US-20150119382-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-30 US disclosed
US-8952177-B2 1,2,6-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-02-10 US disclosed
US-8952177-B2 1,2,6-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-02-10 US disclosed
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 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 (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-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885FTO 4846/4885TDO2 1568/4885
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 KIF11 2261/4885FTO 1549/4885TDO2 463/4885
US-20150119382-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 KIF11 2261/4885FTO 1549/4885TDO2 463/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 KIF11 3565/4885FTO 3488/4885TDO2 3883/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 KIF11 4574/4885FTO 4846/4885TDO2 1568/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885FTO 4846/4885TDO2 1568/4885

“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.