SCHEMBL826548

SCHEMBL826548

CN(C)C(=O)c1ccc2sccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.53
WNT3A P56704 4/20 0.53
NAMPT P43490 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL826777 0.86 CHRNA7 (0.42) CTNNB1WNT3AHDAC6ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4089805 0.85 CHRNA7 (0.41) CTNNB1WNT3AHDAC6ALDH1A1HPGD
SCHEMBL14741290 0.84 CTNNB1 (0.48) CTNNB1WNT3ANAMPTCYP2A6CA12
SCHEMBL30446776 0.80 CTNNB1 (0.57) CTNNB1WNT3ANAMPTCYP2A6ALDH1A1
SCHEMBL826934 0.80 CTNNB1 (0.57) CTNNB1WNT3ANAMPTCYP2A6ALDH1A1
SCHEMBL573187 0.78 CTNNB1 (0.63) CTNNB1WNT3ANAMPTCYP2A6SMN1; SMN2
SCHEMBL30489890 0.78 CTNNB1 (0.63) CTNNB1WNT3ANAMPTCYP2A6SMN1; SMN2
SCHEMBL9193164 0.77 ALDH1A1 (0.59) HDAC6ALDH1A1HPGDSMN1; SMN2NCEH1
SCHEMBL29503181 0.77 CTNNB1 (0.57) CTNNB1WNT3ANAMPTCYP2A6CA12
SCHEMBL1021640 0.77 CTNNB1 (0.57) CTNNB1WNT3ANAMPTCYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS CTNNB1 3662/4885WNT3A 1951/4885NAMPT 343/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS CTNNB1 3056/4885WNT3A 1261/4885NAMPT 238/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CTNNB1 3662/4885WNT3A 1951/4885NAMPT 343/4885

“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.