SCHEMBL14729686

SCHEMBL14729686

CCCCOc1cc(C(=O)OCC)nnc1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 3/20 0.39
CNR2 P34972 1/20 0.38
NPC1 O15118 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 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
SCHEMBL18361965 0.80 ALPL (0.42) TSHRL3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL18361958 0.77 ECE1 (0.43) TSHRL3MBTL1CNR2LMNAALDH1A1
SCHEMBL14719558 0.76 GABRA1 (0.48) CYP1A2L3MBTL1GABRPGABRDGABRA1
SCHEMBL14729684 0.73 SMN1; SMN2 (0.39) CYP1A2TSHRTDP1L3MBTL1ESR1
SCHEMBL9915483 0.73 MAPT (0.47) TSHRL3MBTL1CNR2KDM4EALDH1A1
SCHEMBL9915414 0.72 TSHR (0.54) CYP1A2TSHRTDP1L3MBTL1ESR1
SCHEMBL18361962 0.71 ESR1 (0.41) CYP1A2TSHRTDP1L3MBTL1ESR1
SCHEMBL16234183 0.71 CYP1A2 (0.38) CYP1A2TDP1L3MBTL1CNR2CYP2C9
SCHEMBL668867 0.71 TSHR (0.54) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL14729723 0.70 GAA (0.39) CYP1A2TDP1L3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748149-B9 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-11-15 EP disclosed
US-20170173007-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 US disclosed
US-9290456-B2 Pyridazinone compounds and their use as DAAO inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-22 US disclosed
EP-2748149-B1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-10-21 EP disclosed
US-20150030704-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 US disclosed
WO-2013027000-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 CYP1A2 19/4885TSHR 831/4885TDP1 4235/4885
US-20150030704-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS PNPO, DAO, DPYD CYP1A2 8/4885TSHR 1172/4885TDP1 2533/4885
US-20170173007-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS PNPO, DAO, DPYD CYP1A2 8/4885TSHR 1172/4885TDP1 2533/4885

“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.