SCHEMBL17844690

SCHEMBL17844690

O=C(O)c1cc2cc(Br)cc(Cl)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.47
GPR35 Q9HC97 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
BCL2L1 Q07817 1/20 0.40
PTPN2 P17706 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17844685 0.85 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17844680 0.84 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17173223 0.83 DAO (0.49) DAOGPR35HDAC3HDAC4HDAC1
SCHEMBL20563294 0.79 GPR35 (0.44) DAOGPR35HDAC3HDAC4HDAC1
SCHEMBL20562844 0.79 DAO (0.47) DAOGPR35HDAC3HDAC4HDAC1
SCHEMBL31651689 0.79 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20563752 0.77 HDAC3 (0.47) DAOGPR35HDAC3HDAC4HDAC1
SCHEMBL15697538 0.76 DAO (0.43) DAOGPR35HDAC3HDAC4HDAC1
SCHEMBL31550208 0.76 SLC22A12 (0.44) DAOGPR35BCL2L1PTPN2ALDH1A1
SCHEMBL3650397 0.74 ALDH1A1 (0.44) DAOGPR35HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 US disclosed
US-10858347-B2 Multicyclic compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2020-12-08 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 US disclosed
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-17 US disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. 2018-08-30 US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 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 (6 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-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS MALT1, BCL9, IKBKE DAO 2388/4885GPR35 1653/4885HDAC3 1528/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 DAO 4096/4885GPR35 126/4885HDAC3 2703/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 DAO 4096/4885GPR35 126/4885HDAC3 2703/4885
US-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 DAO 1209/4885GPR35 2481/4885HDAC3 900/4885
US-20190016710-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF MALT1, BCL9, BCL6 DAO 2772/4885GPR35 485/4885HDAC3 1462/4885
US-10858347-B2 Multicyclic compounds and uses thereof MALT1, BCL9, BCL6 DAO 2772/4885GPR35 485/4885HDAC3 1462/4885

“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.