SCHEMBL5787779

SCHEMBL5787779

COC(=O)c1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.40
ACHE P22303 1/20 0.40
HSP90B1 P14625 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL612875 0.89 CYP3A4 (0.47) NOTUMCA12CA1CA2CA7
SCHEMBL516651 0.87 NOTUM (0.41) NOTUMCA12CA1CA2CA7
SCHEMBL29070096 0.87 NOTUM (0.41) NOTUMCA12CA1CA2CA7
SCHEMBL31057270 0.87 GAA (0.45) NOTUMCA12CA1CA2CA7
SCHEMBL20562607 0.86 NOTUM (0.41) NOTUMCA12CA1CA2CA7
SCHEMBL10129753 0.85 TSHR (0.47) CA12CA1CA2CA7CA9
SCHEMBL1003315 0.84 HPGD (0.38) NOTUMCA12CA1CA2CA7
SCHEMBL20505055 0.84 L3MBTL1 (0.36) NOTUMCA12CA1CA2CA7
SCHEMBL5542753 0.83 KMT2A (0.53) CA12CA1CA2CA7CA9
SCHEMBL31057272 0.82 PKM (0.42) HPGDKDM4EHTTKMT2AALDH1A1

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-20250320197-A1 THYROID HORMONE RECEPTOR AGONISTS AND USE THEREOF ECCOGENE INC (US) 2025-10-16 US disclosed
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-10-14 US disclosed
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-05-29 US disclosed
US-12291518-B2 Thyroid hormone receptor agonists and use thereof ECCOGENE INC. (US) 2025-05-06 US disclosed
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-03-13 US disclosed
CN-115244037-B Substituted triazinones as thyroid hormone receptor agonists 诚益生物(美国)公司 2024-10-25 CN disclosed
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 EP disclosed
US-12084455-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2024-09-10 US disclosed
CN-118488944-A Nitrogen-containing heterocyclic compound having Nrf2 activation 中外制药株式会社 2024-08-13 CN disclosed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 EP disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 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 (9 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 NOTUM 686/4885CA12 4712/4885CA1 3107/4885
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 NOTUM 1479/4885CA12 4597/4885CA1 4594/4885
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect KEAP1, NFE2L2, BACH1 NOTUM 4321/4885CA12 3456/4885CA1 2037/4885
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 NOTUM 982/4885CA12 3199/4885CA1 1768/4885
US-12084455-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 NOTUM 2407/4885CA12 4183/4885CA1 4008/4885
US-12291518-B2 Thyroid hormone receptor agonists and use thereof TSHR, THRA, THRB NOTUM 3288/4885CA12 1396/4885CA1 878/4885
US-20250320197-A1 THYROID HORMONE RECEPTOR AGONISTS AND USE THEREOF TSHR, THRA, THRB NOTUM 3288/4885CA12 1396/4885CA1 878/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 NOTUM 4321/4885CA12 3456/4885CA1 2037/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 NOTUM 4278/4885CA12 3378/4885CA1 1968/4885

“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.