SCHEMBL668657

SCHEMBL668657

[CH2]c1ccccc1N=C=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ CCR2 P41597 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MIF P14174 5/20 0.46
▸ POLB P06746 1/20 0.43
▸ APLNR P35414 1/20 0.40

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
SCHEMBL207554 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL29374052 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL3639049 0.76 CYP3A4 (0.52) ALDH1A1CYP3A4HPGDTDP1GABRA1
SCHEMBL4466979 0.75 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL24660121 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL484005 0.71 CYP3A4 (0.52) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL348805 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL458499 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL1325334 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDABCB11NR3C1
SCHEMBL8391915 0.71 L3MBTL1 (0.54) ALDH1A1CYP3A4HPGDABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877163-B2 Cycloalkyl triamine pentacarboxylate as ligands for paramagnetic metal complexes KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-04 — — US claimed
US-20070207087-A1 Cycloalkyl triamine pentacarboxylate as ligands for paramagnetic metal complexes KAOHSIUNG MEDICAL UNIVERSITY (TW) 2007-09-06 — — US claimed
US-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-12-23 — — US claimed
EP-1465938-A1 DENDRITIC POLY (AMINO ACID) CARRIERS AND METHODS OF USE BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-10-13 — — EP claimed
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 — — EP claimed
US-20030232968-A1 Dendritic poly (amino acid) carriers and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-18 — — US claimed
WO-2003055935-A1 DENDRITIC POLY (AMINO ACID) CARRIERS AND METHODS OF USE BOARD OF REGENTS - THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-07-10 — — WO claimed
EP-1277728-A1 Novel TTDA derivatives and their use as gadolinium chelators for MRI imaging University of Lausanne (CH) 2003-01-22 — — EP claimed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 — — WO claimed
US-20240182501-A1 COMPLEX COMPRISING A PSMA-TARGETING COMPOUND LINKED TO A LEAD OR THORIUM RADIONUCLIDE Sciencons AS (NO) 2024-06-06 — — US disclosed
US-20240123031-A1 METHODS OF TREATING LIVER DISEASES BRISTOL-MYERS SQUIBB COMPANY 2024-04-18 — — US disclosed
US-11951168-B2 Composition containing buffer PERSEUS PROTEOMICS INC. (JP) 2024-04-09 — — US disclosed
WO-2024063648-A1 Platform and scaffold for FAP targeting agents ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2024-03-28 — — WO disclosed
EP-4342890-A1 PLATFORM AND SCAFFOLD FOR FAP TARGETING AGENTS Erasmus University Rotterdam Medical Center (NL) 2024-03-27 — — EP disclosed
US-5275801-A X-ray and magnetic resonance imaging of tumors SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-04 — — US disclosed
WO-1993002652-A2 MODIFIED HAPTENS USEFUL AS IMAGING AND THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1993-02-18 — — WO disclosed
EP-0327365-A2 Improvements in or relating to modified haptens useful as imaging and therapeutic agents HYBRITECH INCORPORATED (US) 1989-08-09 — — EP disclosed
US-4709016-A Molecular analytical release tags and their use in chemical analysis NORTHEASTERN UNIVERSITY (US) 1987-11-24 — — US disclosed
US-4650750-A Method of chemical analysis employing molecular release tag compounds GIESE ROGER W (US) 1987-03-17 — — US disclosed
EP-0085554-A1 Molecular analytical release tags and their use in chemical analysis NORTHEASTERN UNIVERSITY (US) 1983-08-10 — — 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 (5 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-20240182501-A1 COMPLEX COMPRISING A PSMA-TARGETING COMPOUND LINKED TO A LEAD OR THORIUM RADIONUCLIDE PSMA7, PSMA2, FOLH1 ALDH1A1 4447/4885CYP3A4 4046/4885HPGD 3802/4885
US-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents EEA1, PCTP, TTPA ALDH1A1 1591/4885CYP3A4 2017/4885HPGD 943/4885
US-20240123031-A1 METHODS OF TREATING LIVER DISEASES HDGF, FGF1, HGF ALDH1A1 567/4885CYP3A4 4355/4885HPGD 572/4885
US-11951168-B2 Composition containing buffer SDHB, SDHA, FH ALDH1A1 1337/4885CYP3A4 3745/4885HPGD 613/4885
US-20070207087-A1 Cycloalkyl triamine pentacarboxylate as ligands for paramagnetic metal complexes SLC39A14, PLPBP, TSPO ALDH1A1 4611/4885CYP3A4 4582/4885HPGD 3124/4885

“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.

Send feedback