SCHEMBL3867446

SCHEMBL3867446

CC1=[N+](CCCCS(=O)(=O)O)c2ccc(C(=O)O)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.37
RARA P10276 5/20 0.33
CYP26A1 O43174 3/20 0.33
CYP3A4 P08684 1/20 0.33
RXRA P19793 5/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
RARB P10826 5/20 0.32
RARG P13631 5/20 0.32
CYP26B1 Q9NR63 1/20 0.32
CDC25B P30305 1/20 0.31

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
SCHEMBL3868600 0.96 TDP1 (0.40) TDP1MEN1LMNAMAPTTHRB
SCHEMBL3877735 0.91 TDP1 (0.42) TDP1MEN1LMNAMAPTTHRB
SCHEMBL5268110 0.91 MEN1 (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL4640722 0.89 MAPT (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL22664031 0.86 MEN1 (0.45) TDP1MEN1LMNAMAPTTHRB
SCHEMBL136801 0.86 MAPT (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL12146331 0.85 MEN1 (0.56) TDP1MEN1LMNAMAPTTHRB
SCHEMBL12160878 0.85 MEN1 (0.46) TDP1MEN1LMNAMAPTTHRB
SCHEMBL19063420 0.84 MEN1 (0.40) TDP1MEN1LMNAMAPTTHRB
Iodide SCHEMBL1051835 0.84 MEN1 (0.46) TDP1MEN1LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168492-B1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING SPA (IT) 2025-12-24 EP disclosed
US-20250084066-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING S.P.A. (IT) 2025-03-13 US disclosed
US-12187708-B2 Near-infrared cyanine dyes and conjugates thereof BRACCO IMAGING S.P.A. (IT) 2025-01-07 US disclosed
US-20240083880-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING S.P.A. (IT) 2024-03-14 US disclosed
WO-2024023138-A2 CA-IX TARGETING FLUORESCENT PROBES BRACCO IMAGING SPA (IT) 2024-02-01 WO disclosed
US-11851421-B2 Near-infrared cyanine dyes and conjugates thereof BRACCO IMAGING S.P.A. (IT) 2023-12-26 US disclosed
US-20230312523-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING S.P.A. (IT) 2023-10-05 US disclosed
EP-4234634-A2 MODIFIED CYANINE DYES AND CONJUGATES THEREOF Bracco Imaging SPA (IT) 2023-08-30 EP disclosed
CN-116209722-A Near infrared cyanine dyes and conjugates thereof 伯拉考成像股份公司 2023-06-02 CN disclosed
EP-4168492-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF Bracco Imaging SPA (IT) 2023-04-26 EP disclosed
US-20050249668-A1 Nir-fluorescent cyanine dyes, their synthesis and biological use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-11-10 US disclosed
EP-1532988-A2 Antibody dye conjugates for the intraoperative delimitation of tumors Schering AG (DE) 2005-05-25 EP disclosed
EP-1176987-B1 SHORT-CHAIN PEPTIDE DYE CONJUGATES USED AS CONTRAST AGENTS FOR OPTICAL DIAGNOSTICS DIAGNOSTIKFORSCHUNG INST (DE) 2004-02-11 EP disclosed
US-6630570-B1 Of tumor cells and tissues; derived from vaso-active intestinal protein, somatostatin or neurotensin; methine/cyanine; useful for endoscopy Insitut für Diagnostikforschung GmbH (DE) 2003-10-07 US disclosed
US-20030095924-A1 Galenical formulations SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-22 US disclosed
EP-1281405-A2 Short-chained peptide-dye conjugates as contrast agents for optical diagnosis INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 2003-02-05 EP disclosed
US-6447749-B1 Perfluoro-alkyl containing dye molecules and galencial formulations SCHERING AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
EP-1088559-A2 Galenic formulations INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 2001-04-04 EP disclosed
US-5397690-A Near-infrared absorbing dyes prepared from stenhouse salts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-14 US disclosed
EP-0591820-A1 Near-infrared absorbing dyes prepared from Stenhouse salts E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-13 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-20240083880-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF IK, CIT, HCCS TDP1 2523/4885MEN1 453/4885LMNA 3231/4885
US-20050249668-A1 Nir-fluorescent cyanine dyes, their synthesis and biological use HCCS, MTHFD1, FOLR2 TDP1 3885/4885MEN1 381/4885LMNA 4715/4885
US-20230312523-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF HCCS, C1R, CYTH3 TDP1 3622/4885MEN1 602/4885LMNA 1678/4885
US-11851421-B2 Near-infrared cyanine dyes and conjugates thereof HCCS, C1R, CYTH3 TDP1 3622/4885MEN1 602/4885LMNA 1678/4885
US-20030095924-A1 Galenical formulations GALR1, GALR2, LGALS1 TDP1 2074/4885MEN1 1210/4885LMNA 759/4885
US-20250084066-A1 NEAR-INFRARED CYANINE DYES AND CONJUGATES THEREOF IK, CIT, HCCS TDP1 2523/4885MEN1 453/4885LMNA 3231/4885
US-12187708-B2 Near-infrared cyanine dyes and conjugates thereof IK, CIT, HCCS TDP1 2523/4885MEN1 453/4885LMNA 3231/4885

“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.