SCHEMBL1530004

SCHEMBL1530004

O=C(O)c1cc(Cl)c(Br)s1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.63
GPR35 Q9HC97 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 3/20 0.41
GSK3B P49841 3/20 0.41
BCL2L1 Q07817 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL1824056 0.81 DAO (0.41) DAOMEN1MAPTKMT2AGSK3B
SCHEMBL20892550 0.80 MRGPRX4 (0.43) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL30844757 0.78 GSK3B (0.67) DAOALDH1A1MEN1MAPTKMT2A
SCHEMBL899479 0.77 GSK3B (0.61) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL788050 0.77 DAO (1.00) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL27843493 0.76 GSK3B (0.49) DAOALDH1A1MEN1KMT2AGSK3B
SCHEMBL18701713 0.76 DAO (0.65) DAOGPR35ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL8935127 0.76 DAO (0.95) DAOGPR35ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL8935203 0.76 GSK3B (0.59) DAOGPR35ALDH1A1KDM4EMEN1
Bromide SCHEMBL8935164 0.76 GSK3B (0.59) DAOGPR35ALDH1A1KDM4EMEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
EP-3466946-B1 THIOPHENE, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL APPLICATION OF SAME DONGBAO PURPLE STAR HANGZHOU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-20220356174-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2022-11-10 US disclosed
EP-3826999-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme Inc (US) 2021-06-02 EP disclosed
WO-2021083182-A1 URICOSURIC AGENT, SYNTHETIC METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 南京明德新药研发有限公司 2021-05-06 WO disclosed
CN-112739690-A Pyridin-2-one compounds as SMARCA2 antagonists 埃皮兹姆公司 2021-04-30 CN disclosed
WO-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 WO disclosed
WO-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 WO disclosed
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
WO-2013170112-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20110071182-A1 Inhibitors of AKT Activity SMITHKLINE BEECHAM CORPORATION 2011-03-24 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 CN disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 (7 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-20220356174-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS SMARCC1, SMARCC2, SMARCE1 DAO 4390/4885GPR35 3297/4885ALDH1A1 1947/4885
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 DAO 2507/4885GPR35 2180/4885ALDH1A1 3652/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 DAO 2507/4885GPR35 2180/4885ALDH1A1 3652/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 DAO 2507/4885GPR35 2180/4885ALDH1A1 3652/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 DAO 2507/4885GPR35 2180/4885ALDH1A1 3652/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT DAO 3057/4885GPR35 2989/4885ALDH1A1 1573/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 DAO 2507/4885GPR35 2180/4885ALDH1A1 3652/4885

“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.