SCHEMBL384083

SCHEMBL384083

O=[N+]([O-])c1cccc(C(Br)Br)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
LMNA P02545 2/20 0.61
ACP3 P15309 1/20 0.54
ALDH1A1 P00352 4/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL11432821 0.88 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2540712 0.85 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL27406848 0.85 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL29646530 0.85 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL27388374 0.85 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2333356 0.85 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL4093002 0.83 TSHR (0.67) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL9026172 0.82 TSHR (0.59) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL31652701 0.82 ACP3 (0.56) TSHRLMNAACP3ALDH1A1ALOX15
SCHEMBL1701431 0.82 TSHR (0.53) TSHRLMNAACP3ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2020214999-A1 ABELSON NON-TYROSINE KINASE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES EMORY UNIVERSITY (US) 2020-10-22 WO disclosed
EP-3423454-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS Mission Therapeutics Limited (GB) 2019-01-09 EP disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 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 (2 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-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 TSHR 4386/4885LMNA 3973/4885ACP3 1681/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 TSHR 856/4885LMNA 4544/4885ACP3 4805/4885

“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.