Sugi Predict

Sugi Predict / Compounds / SCHEMBL186825

SCHEMBL186825

SCHEMBL186825

O=C(O)C1NCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ SLC6A2 P23975 3/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ CYP2D6 P10635 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PRCP P42785 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL30230052 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL17231978 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL21689895 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL30229974 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL9608966 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16992064 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29897763 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL19583552 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL19584295 0.90 TSHR (0.56) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL27632988 0.86 TSHR (0.50) TSHRNPSR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718290-B Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound 苏州爱玛特生物科技有限公司 2022-11-25 — — CN claimed
CN-102791706-A Process for preparing metabotropic glutamate receptor positive allosteric modulators-874 ASTRAZENECA AB 2012-11-21 — — CN claimed
CN-101812010-A Isoindolinylcarboxylic ester derivative and preparation method UNIV TIANJIN 2010-08-25 — — CN claimed
EP-1539248-A4 INHIBITORS OF THE S100-p53 PROTEIN-PROTEIN INTERACTION AND METHOD OF INHIBITING CANCER EMPLOYING THE SAME UNIV MARYLAND (US) 2007-12-26 — — EP claimed
EP-1718671-A2 PEPTIDE YY ANALOGUES Rheoscience A/S (DK) 2006-11-08 — — EP claimed
WO-2005080424-A2 PEPTIDE YY ANALOGUES RHEOSCIENCE A/S (DK) 2005-09-01 — — WO claimed
EP-1539248-A2 INHIBITORS OF THE S100-p53 PROTEIN-PROTEIN INTERACTION AND METHOD OF INHIBITING CANCER EMPLOYING THE SAME THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 2005-06-15 — — EP claimed
WO-2003084475-A2 INHIBITORS OF THE S100-p53 PROTEIN-PROTEIN INTERACTION AND METHOD OF INHIBITING CANCER EMPLOYING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2003-10-16 — — WO claimed
US-20030171539-A1 Anti-heparin peptides DIAGNOSTICA-STAGO (FR) 2003-09-11 — — US claimed
WO-1998047541-B1 CONTRAST AGENTS — 1998-11-26 — — WO claimed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 — — US disclosed
EP-3647319-B1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER SHANGHAI CO LTD (CN) 2025-04-09 — — EP disclosed
EP-3209681-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING PEPTIDE VARIANTS AND METHODS OF USE THEREOF NGM BIOPHARMACEUTICALS INC (US) 2025-04-02 — — EP disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 — — US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 — — CN disclosed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 — — US disclosed
US-4097472-A INHIBITION AND SUPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-27 — — US disclosed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 — — US disclosed
US-4073913-A INHIBITION AND SUPPRESSION OF THROMBIN MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 — — US disclosed
US-4066773-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 — — US 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 (3 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-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885NPSR1 796/4885SLC6A2 1083/4885
US-20030171539-A1 Anti-heparin peptides SERPINC1, F13B, ZYX TSHR 1834/4885NPSR1 381/4885SLC6A2 4864/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TSHR 1187/4885NPSR1 796/4885SLC6A2 1083/4885

“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.