SCHEMBL1374077

SCHEMBL1374077

CCCC(=O)C(Cc1ccc(-c2ccccc2C#N)nc1)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MMP8 P22894 1/20 0.37
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
BRS3 P32247 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL16457755 0.92 PRKDC (0.37) GAAALDH1A1L3MBTL1FFAR1AKR1B1
SCHEMBL15418090 0.90 PRKDC (0.39) SMN1; SMN2FFAR1AKR1B1PRKDCATM
SCHEMBL1370921 0.86 TSHR (0.39) ALDH1A1L3MBTL1SMN1; SMN2FFAR1AKR1B1
SCHEMBL15418062 0.85 TSHR (0.36) MAPTALDH1A1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL27962068 0.84 MME (0.47) MAPTTDP1MMP8GAAALDH1A1
SCHEMBL1370358 0.84 MME (0.47) MAPTTDP1MMP8GAAALDH1A1
SCHEMBL16458596 0.84 PPARG (0.36) MAPTTDP1GAAALDH1A1L3MBTL1
SCHEMBL11897519 0.84 TSHR (0.40) SMN1; SMN2FFAR1AKR1B1PRKDCATM
SCHEMBL15418005 0.83 FAAH (0.40) ALDH1A1SMN1; SMN2FFAR1AKR1B1PRKDC
SCHEMBL1374269 0.82 MMP8 (0.38) MAPTTDP1MMP8GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103788097-B Fused ring compound and its purposes TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-30 CN disclosed
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
CN-102369205-B fused ring compound and use thereof TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-29 CN disclosed
CN-103788097-A Fused ring compound and application thereof TAKEDA PHARMACEUTICAL 2014-05-14 CN disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 US disclosed
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
WO-2010087515-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 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 (4 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-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPT 4351/4885TDP1 4688/4885MMP8 2528/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPT 4351/4885TDP1 4688/4885MMP8 2528/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPT 4351/4885TDP1 4688/4885MMP8 2528/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 MAPT 4351/4885TDP1 4688/4885MMP8 2528/4885

“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.