SCHEMBL4450601

SCHEMBL4450601

COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 1.00
NR1H3 Q13133 9/20 1.00
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP3 P42574 1/20 0.49
EP300 Q09472 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL4686588 0.92 NR1H2 (0.85) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4693569 0.90 NR1H2 (0.81) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4692898 0.90 NR1H2 (0.81) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4684030 0.89 NR1H2 (0.80) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4688066 0.89 NR1H2 (0.80) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4688675 0.89 NR1H2 (0.80) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL5745530 0.88 NR1H2 (0.78) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4688601 0.88 NR1H2 (0.78) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4685907 0.87 NR1H2 (1.00) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4690915 0.85 NR1H2 (0.73) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242860-A2 PHYTOSTEROL DERIVATIVES, AND COMPOSITIONS COMPRISING THE SAME, FOR USE AS MEDICAMENTS Institut National de la Santé et de la Recherche Médicale (FR) 2025-11-27 WO disclosed
EP-4646421-A1 FLUORO-OXYSTEROLS POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS Institut National de la Santé et de la Recherche Médicale (FR) 2025-11-12 EP disclosed
WO-2025059405-A1 COMPOSITIONS FOR USE IN A METHOD OF TREATING A MOTOR NEURON DISEASE OR CONDITION ASSOCIATED WITH A SPG11 PATHOGENIC VARIANT THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-03-20 WO disclosed
WO-2024146880-A1 FLUORO-OXYSTEROLS POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS Institut National de la Santé et de la Recherche Médicale (FR) 2024-07-11 WO disclosed
CN-112028808-B Preparation method of N-substituted-3-methyl mercapto-4-morpholinyl maleimide compound 温州医科大学 2023-10-13 CN disclosed
CN-111978235-B Preparation method of 3-amino-4-methylmercapto maleimide compound 温州医科大学 2023-08-18 CN disclosed
CN-116121781-A Electrochemical synthesis method of 3-iodo-4-aminomaleimide 浙江工业大学 2023-05-16 CN disclosed
CN-112724063-B Preparation method of 3-iodine-4-amido maleimide compound 温州医科大学 2022-04-19 CN disclosed
CN-112661690-B Preparation method of 3-chloro-4-amino maleimide compound 温州医科大学 2022-04-19 CN disclosed
CN-112661689-B Preparation method of 3-bromo-4-amino maleimide compound 温州医科大学 2022-04-15 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20130004560-A1 Polymer Nanofilm Coatings THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-03 US disclosed
US-8263104-B2 Polymer nanofilm coatings NORTHWESTERN UNIVERSITY (US) 2012-09-11 US disclosed
US-20090004241-A1 POLYMER NANOFILM COATINGS NORTHWESTERN UNIVERSITY (US) 2009-01-01 US disclosed
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO 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 (1 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-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MAPT 2045/4885

“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.