SCHEMBL1018224

SCHEMBL1018224

COC(=O)c1ccccc1SC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
POLB P06746 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CRBN Q96SW2 1/20 0.47
TSHR P16473 4/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
CFTR P13569 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
PKLR P30613 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2543692 0.97 HSD17B10 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL27950380 0.83 NPSR1 (0.41) ALDH1A1HPGDHSD17B10NPSR1L3MBTL1
SCHEMBL9114959 0.80 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19617767 0.80 POLB (0.55) ALDH1A1HPGDHSD17B10POLBL3MBTL1
SCHEMBL1147613 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10POLBL3MBTL1MAPT
SCHEMBL8741664 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL7864560 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL7864562 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL7864561 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6935543 0.77 HPGD (0.48) ALDH1A1KDM4EHPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
CN-102066327-B Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL 2013-05-29 CN disclosed
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7982044-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
CN-102066327-A Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL 2011-05-18 CN disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO 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 (6 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-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885HPGD 312/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885HPGD 312/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3437/4885HPGD 299/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885HPGD 312/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885HPGD 312/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 ALDH1A1 33/4885KDM4E 3069/4885HPGD 312/4885

“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.