SCHEMBL540769

SCHEMBL540769

CC(=O)NCc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.65
HDAC6 Q9UBN7 1/20 0.65
KMT2A Q03164 2/20 0.63
TGM2 P21980 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 3/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL12133623 0.89 KMT2A (0.76) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL1501994 0.83 KMT2A (0.63) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL24575914 0.83 TGM2 (0.63) KMT2ATGM2MEN1ALDH1A1L3MBTL1
SCHEMBL171709 0.81 KMT2A (0.66) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL3612557 0.81 KMT2A (0.66) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL885068 0.81 KMT2A (0.66) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL1694370 0.81 L3MBTL1 (0.62) KMT2ATGM2MEN1ALDH1A1POLB
SCHEMBL3612554 0.81 KMT2A (0.66) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL1951513 0.81 KMT2A (0.66) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL15947376 0.81 KMT2A (0.66) HDAC1HDAC6KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
CN-122036718-A ALK5 inhibitor and preparation method and application thereof 安炎达医药技术(广州)有限公司 2026-05-15 CN disclosed
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-20250230169-A1 Phosphoinositide 3-Kinase Inhibitors with a Zinc Binding Moiety CURIS INC (US) 2025-07-17 US disclosed
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS INC (US) 2023-07-20 US disclosed
US-20230158150-A1 COMPOUND COMPRISING A NUCLEIC ACID AND A HALF-LIFE EXTENSION MOTIF NOVARTIS AG (CH) 2023-05-25 US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP disclosed
WO-2006094800-A2 CASCADE REACTION PROCESS SYNTHON B.V. (NL) 2006-09-14 WO disclosed
US-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-03-23 US disclosed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US disclosed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO disclosed
WO-2004085420-A1 BICYCLIC COMPOUNDS USEFUL AS ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-10-07 WO disclosed
US-5039673-A Anticoagulants, bronchodilators, vasodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
EP-0296802-A1 Aminocyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1988-12-28 EP 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-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin SLC6A3, SLC6A4, SLC6A2 HDAC1 1846/4885HDAC6 2310/4885KMT2A 1904/4885
US-20250230169-A1 Phosphoinositide 3-Kinase Inhibitors with a Zinc Binding Moiety BAZ2A, BAZ2B, PI4KB HDAC1 10/4885HDAC6 123/4885KMT2A 373/4885
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 HDAC1 104/4885HDAC6 303/4885KMT2A 206/4885
US-20230158150-A1 COMPOUND COMPRISING A NUCLEIC ACID AND A HALF-LIFE EXTENSION MOTIF NSUN2, NSUN3, POLM HDAC1 2995/4885HDAC6 1362/4885KMT2A 1230/4885
US-20230227467-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB HDAC1 10/4885HDAC6 123/4885KMT2A 373/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP HDAC1 4555/4885HDAC6 2636/4885KMT2A 3083/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 HDAC1 188/4885HDAC6 380/4885KMT2A 3013/4885

“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.