Sugi Predict

Sugi Predict / Compounds / SCHEMBL2429802

SCHEMBL2429802

SCHEMBL2429802

Nc1cc(C(F)(F)F)cc(Br)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ PTPN5 P54829 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL30709752 1.00 ALDH1A1 (0.42) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL24118131 0.84 PTPN5 (0.47) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL414157 0.78 ALDH1A1 (0.53) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL29746207 0.78 ALDH1A1 (0.53) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL25798292 0.77 GABRB3 (0.36) ALDH1A1HPGDHSD17B10TSHRGABRB3
SCHEMBL18299676 0.77 PTPN5 (0.41) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL9217763 0.77 ALDH1A1 (0.43) ALDH1A1PTPN5KDM4EPKMHPGD
Hydrochloric Acid SCHEMBL8947519 0.77 ALDH1A1 (0.52) ALDH1A1PTPN5KDM4EPKMHPGD
SCHEMBL23899710 0.75 CHEK1 (0.37) ALDH1A1HPGDHSD17B10TSHRMEN1
SCHEMBL14054165 0.75 GABRB3 (0.38) ALDH1A1KDM4EHPGDTSHRGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 — — US disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 — — US disclosed
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2024-11-07 — — US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 — — US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 — — US disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 — — WO disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 — — WO disclosed
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
EP-2927229-B1 BENZENE-FUSED 5-MEMBERED NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS USEFUL FOR PROPHYLAXIS OR TREATMENT OF NEURODEGENERATIVE DISEASES OR EPILEPSY TAKEDA PHARMACEUTICALS CO (JP) 2018-09-05 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 — — US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 — — US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 — — US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 — — 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885PTPN5 310/4885KDM4E 2420/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L ALDH1A1 1000/4885PTPN5 1346/4885KDM4E 553/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L ALDH1A1 1000/4885PTPN5 1346/4885KDM4E 553/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 908/4885PTPN5 1211/4885KDM4E 981/4885
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L ALDH1A1 1000/4885PTPN5 1346/4885KDM4E 553/4885
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 ALDH1A1 390/4885PTPN5 1618/4885KDM4E 539/4885

“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.