SCHEMBL16936690

SCHEMBL16936690

O=C(O)c1c(I)ccc(Br)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
TPMT P51580 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL30277141 1.00 GPR17 (0.35) GPR17KDM4EASPHKDM8CA1
SCHEMBL6120229 0.84 KDM4E (0.36) GPR17KDM4EASPHKDM8CA1
SCHEMBL16936353 0.82 DGAT1 (0.35) CA1CA2CA9
SCHEMBL16936918 0.82 ALDH1A1 (0.33)
SCHEMBL671154 0.79 CES2 (0.38) GPR17KDM4EASPHKDM8CA1
SCHEMBL29975604 0.79 CES2 (0.38) GPR17KDM4EASPHKDM8CA1
SCHEMBL6418751 0.79 CES2 (0.40) KDM4EASPHKDM8CA1CA2
SCHEMBL31491168 0.78 SOS1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL19792299 0.78 SOS1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL21807887 0.78 CA1 (0.46) GPR17KDM4EASPHKDM8CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
EP-4617273-A1 FUSED TRICYCLIC PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2025-09-17 EP disclosed
CN-119948029-A Fused tricyclic PARP1 inhibitor, preparation method and application thereof 上海海和药物研究开发股份有限公司 2025-05-06 CN disclosed
US-20240400584-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2024-12-05 US disclosed
EP-4395889-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING Remix Therapeutics Inc. (US) 2024-07-10 EP disclosed
WO-2024099416-A1 FUSED TRICYCLIC PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海海和药物研究开发股份有限公司 2024-05-16 WO disclosed
CN-118005637-A Fused tricyclic PARP1 inhibitor, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-05-10 CN disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
WO-2016206101-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
EP-3096754-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 WO disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 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-20240400584-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 GPR17 4225/4885KDM4E 3081/4885ASPH 3054/4885
US-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A GPR17 362/4885KDM4E 1582/4885ASPH 2596/4885
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA GPR17 4100/4885KDM4E 2116/4885ASPH 457/4885

“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.