SCHEMBL431541

SCHEMBL431541

O=C(NCCCBr)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TGM2 P21980 1/20 0.63
KEAP1 Q14145 2/20 0.62
NFE2L2 Q16236 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 1/20 0.53
FOLH1 Q04609 3/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL6170645 0.95 HTT (0.70) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL29270787 0.94 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL17641102 0.94 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL5240928 0.94 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL1419600 0.94 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL176927 0.90 LMNA (0.71) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.90 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.88 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.88 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9340146 0.88 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009064485-A1 ANTIOXIDANT FLAVONOID DERIVATIVES TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-22 WO claimed
EP-4735452-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN Merck Patent GmbH (DE) 2026-05-06 EP disclosed
US-12600711-B2 Triazacyclododecansulfonamide (TCD)-based protein secretion inhibitors KEZAR LIFE SCIENCES, INC. (US) 2026-04-14 US disclosed
EP-4720162-A1 MAIN CHAIN CATIONIC OLIGO(IMIDAZOLIUM) FORMS N-HETEROCYCLIC CARBENE FOR EFFECTIVE BACTERIAL KILLING IN COMPLEX ENVIRONMENT Nanyang Technological University (SG) 2026-04-08 EP disclosed
US-20260062422-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO INC (US) 2026-03-05 US disclosed
EP-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
EP-4695237-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
US-12552775-B2 Compounds and uses thereof FOGHORN THERAPEUTICS INC. (US) 2026-02-17 US disclosed
US-12545689-B2 Macrocyclic LRRK2 kinase inhibitors ONCODESIGN PRECISION MEDICINE (FR) 2026-02-10 US disclosed
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 EP disclosed
EP-0749306-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1996-12-27 EP disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 CN disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
US-5482700-A Substituted polyamino, polycarboxy complexing agent dimers for MRI and X-ray contrast SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
WO-1995018610-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-07-13 WO disclosed
US-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 US disclosed
US-4804684-A ANTICONVULSANTS, ANALGESICS PANMEDICA S.A. (FR) 1989-02-14 US disclosed
EP-0061186-B1 DIPEPTIDES CONTAINING THIALYSINE AND HOMOLOGS AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-05-21 EP disclosed
US-4512979-A Dipeptides containing thialysine and related amino acids as antihypertensives MERCK & CO., INC. (US) 1985-04-23 US disclosed
EP-0061186-A1 Dipeptides containing thialysine and homologs as antihypertensives MERCK & CO. INC. (US) 1982-09-29 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 (4 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-12552775-B2 Compounds and uses thereof SMARCC1, SMARCC2, CHD1 HTT 1809/4885LMNA 341/4885SMN1; SMN2 238/4885
US-12545689-B2 Macrocyclic LRRK2 kinase inhibitors LRRK2, SNCA, ROS1 HTT 730/4885LMNA 895/4885SMN1; SMN2 516/4885
US-20260062422-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE BRD4, AR, BRD3 HTT 2806/4885LMNA 3672/4885SMN1; SMN2 4201/4885
US-12600711-B2 Triazacyclododecansulfonamide (TCD)-based protein secretion inhibitors CD274, CD40, ICOS HTT 2475/4885LMNA 3089/4885SMN1; SMN2 3254/4885

“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.