SCHEMBL4128905

SCHEMBL4128905

COc1ccc(OC)c2sc(N)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
CYP3A4 P08684 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 1/20 0.45
NQO2 P16083 1/20 0.44
ILK Q13418 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
PARP6 Q2NL67 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TIPARP Q7Z3E1 1/20 0.42

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
SCHEMBL6875429 0.91 TDP1 (0.56) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL5206462 0.89 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL21902256 0.88 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL3037816 0.88 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL3042793 0.88 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL687610 0.88 SMN1; SMN2 (0.66) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL30189863 0.87 CYP3A4 (0.56) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL18416893 0.87 CYP3A4 (0.56) ALDH1A1CYP3A4TDP1HPGDTSHR
Bromide SCHEMBL21839448 0.86 CYP3A4 (0.51) ALDH1A1CYP3A4TDP1HPGDTSHR
SCHEMBL3046443 0.86 CYP3A4 (0.51) ALDH1A1CYP3A4TDP1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199561-A1 INHIBITORS OF DYRK AND PIM COLD SPRING HARBOR LABORATORY (US) 2024-06-20 US disclosed
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed
US-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 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 (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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 ALDH1A1 852/4885CYP3A4 1052/4885TDP1 806/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 ALDH1A1 1609/4885CYP3A4 1082/4885TDP1 1345/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 ALDH1A1 1609/4885CYP3A4 1082/4885TDP1 1345/4885
US-20240199561-A1 INHIBITORS OF DYRK AND PIM PIM3, PIM2, PIM1 ALDH1A1 3740/4885CYP3A4 240/4885TDP1 1551/4885
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC ALDH1A1 3129/4885CYP3A4 3233/4885TDP1 2564/4885

“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.