SCHEMBL5325296

SCHEMBL5325296

O=C(O)[C@H](Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 5/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.50
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL664900 1.00 SRC (0.56) SRCCYP2D6LMNAMAPK1TSHR
Ammonia Solution, Strong SCHEMBL38660871 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1TSHR
Hydrochloric Acid SCHEMBL6334096 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1TSHR
Benzene SCHEMBL27730624 0.89 CYP2D6 (0.46) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL11839188 0.86 PTGS2 (0.59) SRCCYP2D6LMNATSHRMAPT
SCHEMBL9181806 0.84 CYP2D6 (0.50) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL286907 0.82 CYP2D6 (0.48) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL9823813 0.82 CYP2D6 (0.48) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL1173291 0.82 CYP2D6 (0.48) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL6960854 0.82 CYP2D6 (0.48) SRCCYP2D6LMNAMAPK1TSHR

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 9 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
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-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 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
WO-2007126258-A1 THE METHOD OF MAKING OPTICALLY ACTIVE 2-HALO-2-(N-SUBSTITUTED PHENYL)ACETIC ACID ESTERS AND 2-HALO-2-(N-SUBSTITUTED PHENYL)ACETIC ACIDS BY ENZYMATIC METHOD ENZYTECH, LTD (KR) 2007-11-08 WO disclosed
US-20060003428-A1 Enzymatic resolution of an alpha-substituted carboxylic acid or an ester thereof by Carica papaya lipase NATIONAL CHENG KUNG UNIVERSITY 2006-01-05 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 (2 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-20170305917-A1 COMPOUNDS F11, F12, F10 SRC 1496/4885CYP2D6 184/4885LMNA 402/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 SRC 2746/4885CYP2D6 1298/4885LMNA 733/4885

“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.