SCHEMBL2233433

SCHEMBL2233433

COC(=O)NNc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.67
ALOX5 P09917 2/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
LMNA P02545 2/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
PTGS2 P35354 3/20 0.55
ALOX12 P18054 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 1/20 0.51
CRHR1 P34998 1/20 0.49
F2 P00734 1/20 0.48
CYP2C19 P33261 1/20 0.47

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
Hydrochloric Acid SCHEMBL28201063 0.98 GAA (0.65) GAAALOX5CYP3A4TSHRLMNA
SCHEMBL28080824 0.81 GAA (0.59) GAAALOX5CYP3A4TSHRSMN1; SMN2
SCHEMBL2232787 0.81 GAA (0.56) GAACYP3A4LMNAHTTSMN1; SMN2
SCHEMBL11717808 0.80 GAA (0.70) GAAALOX5CYP3A4TSHRLMNA
SCHEMBL4254852 0.80 GAA (0.60) GAAALOX5CYP3A4TSHRLMNA
SCHEMBL2234441 0.80 GAA (1.00) GAAALOX5CYP3A4TSHRLMNA
SCHEMBL11781508 0.79 GAA (0.69) GAAALOX5CYP3A4TSHRLMNA
SCHEMBL9553582 0.79 GAA (0.58) GAAALOX5CYP3A4TSHRLMNA
SCHEMBL2237027 0.79 PTGS2 (0.58) GAACYP3A4LMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28240039 0.79 GAA (0.96) GAAALOX5CYP3A4TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112481319-A Green synthesis method of carbamate 中国科学院青岛生物能源与过程研究所 2021-03-12 CN disclosed
CN-102186811-B Process for producing bisoxazolinone compound and intermediate thereof SUMITOMO CO LTD 2013-07-24 CN disclosed
US-8299264-B2 Method for producing oxadiazolinone compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
CN-102186811-A Process for producing bisoxazolinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2011-09-14 CN disclosed
US-20110207936-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-25 US disclosed
EP-2357167-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2011-08-17 EP disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 CN disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 CN disclosed
CN-1226891-A Processes for preparing indeno [1,2-E] (1,3,4) oxadiazine-dicarboxylates DU PONT (US) 1999-08-25 CN disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4018814-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4013676-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3996247-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 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 (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-20110207936-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF AHR, CYP1B1, AR GAA 4157/4885ALOX5 789/4885CYP3A4 26/4885

“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.