SCHEMBL2775436

SCHEMBL2775436

C[C]1Cc2ccccc2S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.35
MAOA P21397 3/20 0.34
DRD1 P21728 2/20 0.33
DRD3 P35462 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
BLM P54132 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33

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
Thioxanthene SCHEMBL29398766 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL8717 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL27482326 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28542371 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28751085 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL27797478 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL18311802 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL31106427 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28315422 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28014365 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152109-C Arylheterocycle substituted dibenzofuranpyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN claimed
CN-1152108-C Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN claimed
CN-1328109-A Arylheterocycle substituted dibenzofuranpyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN claimed
CN-1328108-A Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed
US-7642324-B2 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX SOLUTIONS, INC. (US) 2010-01-05 US disclosed
US-7642216-B2 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX SOLUTIONS, INC. (US) 2010-01-05 US disclosed
US-20090143222-A1 METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-06-04 US disclosed
US-20090131619-A1 METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-05-21 US disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
CN-1152109-C Arylheterocycle substituted dibenzofuranpyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN disclosed
CN-1152108-C Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
CN-1328108-A Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN disclosed
CN-1328109-A Arylheterocycle substituted dibenzofuranpyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN disclosed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 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 (2 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885HPGD 2158/4885KDM4E 2790/4885
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ALDH1A1 944/4885HPGD 3560/4885KDM4E 2287/4885

“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.