SCHEMBL5451731

SCHEMBL5451731

Cc1ccc(NC(=S)Nc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
CYP3A4 P08684 3/20 0.74
TAS2R38 P59533 1/20 0.74
HSD17B10 Q99714 1/20 0.74
RAB9A P51151 4/20 0.69
MAPT P10636 4/20 0.69
NPC1 O15118 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CCR6 P51684 1/20 0.69
KMT2A Q03164 5/20 0.68
CYP1A2 P05177 4/20 0.68
CYP2C19 P33261 4/20 0.68
MEN1 O00255 3/20 0.68
HTT P42858 1/20 0.68
GAA P10253 4/20 0.67
MAOA P21397 2/20 0.67
MAOB P27338 2/20 0.67
LMNA P02545 1/20 0.67
HPGD P15428 1/20 0.66
NOX1 Q9Y5S8 1/20 0.61

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
SCHEMBL1276739 0.91 KMT2A (0.79) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL14181848 0.89 KMT2A (0.71) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL8956322 0.89 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL132620 0.86 ALDH1A1 (1.00) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL9470190 0.84 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL28299815 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL1310574 0.83 GAA (0.78) ALDH1A1CYP3A4RAB9AMAPTNPC1
Tetramethylammonium Ion SCHEMBL28514624 0.82 ALDH1A1 (0.81) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL9243020 0.82 ALDH1A1 (0.81) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A
SCHEMBL11674611 0.82 KMT2A (0.75) ALDH1A1CYP3A4TAS2R38HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271941-B Urea derivatives for the treatment and/or prophylaxis of cancer 法国国家科学研究中心 2024-09-20 CN disclosed
US-20210380547-A1 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-09 US disclosed
WO-2020079184-A2 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-04-23 WO disclosed
US-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-09 US disclosed
US-20160237345-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-18 US disclosed
EP-3049370-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS The Trustees of Columbia University in the City of New York (US) 2016-08-03 EP disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 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 (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-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials SCLY, TST, SOD1 ALDH1A1 1898/4885CYP3A4 3039/4885TAS2R38 4184/4885
US-20210380547-A1 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CXCR1, CXCR2, CXCR6 ALDH1A1 639/4885CYP3A4 4850/4885TAS2R38 105/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885CYP3A4 1914/4885TAS2R38 2075/4885

“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.