SCHEMBL1019839

SCHEMBL1019839

CON=Cc1cc(Br)ccc1SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 6/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.36
AMY1A P0DUB6 1/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
SRC P12931 1/20 0.34
MEN1 O00255 4/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL1261937 1.00 GAA (0.39) GAAMAPTKMT2AKDM4EPOLB
SCHEMBL16528327 0.83 HPGD (0.39) GAAMAPTKMT2AKDM4EPOLB
SCHEMBL16541865 0.83 HPGD (0.39) GAAMAPTKMT2AKDM4EPOLB
SCHEMBL10018345 0.76 ALDH1A1 (0.38) GAAKMT2AHPGDTSHRSMN1; SMN2
SCHEMBL10905637 0.76 MAPT (0.59) GAAMAPTKMT2AKDM4EPOLB
SCHEMBL10905634 0.76 MAPT (0.59) GAAMAPTKMT2AKDM4EPOLB
SCHEMBL14572070 0.75 ABCB1 (0.38) GAAMAPTKMT2APOLBTSHR
SCHEMBL31050378 0.75 ALDH1A1 (0.33) MAPTKMT2AKDM4EPOLBAMY1A
SCHEMBL16952858 0.73 ERN1 (0.38) GAAMAPTKMT2AKDM4EPOLB
SCHEMBL1017248 0.73 ERN1 (0.52) LMNAALDH1A1

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 14 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
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985862-B2 Iminopyridine derivatives and use 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
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 GAA 3428/4885MAPT 1926/4885KMT2A 2082/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 GAA 3428/4885MAPT 1926/4885KMT2A 2082/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 GAA 3178/4885MAPT 2105/4885KMT2A 2344/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 GAA 3428/4885MAPT 1926/4885KMT2A 2082/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 GAA 3428/4885MAPT 1926/4885KMT2A 2082/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 GAA 3428/4885MAPT 1926/4885KMT2A 2082/4885

“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.