SCHEMBL15058744

SCHEMBL15058744

CCOCCOC(=O)Nc1ccc(C(=O)CBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
CASP1 P29466 1/20 0.50
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
GSK3B P49841 3/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NAMPT P43490 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL1197741 0.86 NPC1 (0.52) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL30392086 0.84 RAB9A (0.70) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL12407197 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL19505724 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL16753335 0.81 RAB9A (0.57) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL14442106 0.80 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1RAB9ANPC1CASP1
SCHEMBL11778697 0.79 NPC1 (0.64) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL1198090 0.79 GSK3B (0.58) SMN1; SMN2ALDH1A1RAB9ANPC1MEN1
SCHEMBL26103539 0.78 NPC1 (0.62) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL9124968 0.76 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 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-20150152112-A1 COMPOUNDS F11, F12, F10 SMN1; SMN2 3609/4885ALDH1A1 1527/4885MAPK1 2877/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 SMN1; SMN2 3609/4885ALDH1A1 1527/4885MAPK1 2877/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 SMN1; SMN2 3774/4885ALDH1A1 1823/4885MAPK1 2250/4885

“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.