SCHEMBL1415083

SCHEMBL1415083

CC(C)N(C(=O)c1ccc2cc(Br)ccc2c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
NCEH1 Q6PIU2 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 2/20 0.40
RIPK1 Q13546 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.38

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
SCHEMBL6884893 0.83 SLC6A4 (0.57) LMNAHPGDMCOLN3KDM4EALDH1A1
SCHEMBL2462624 0.82 NPSR1 (0.54) LMNAHPGDMCOLN3KDM4EALDH1A1
SCHEMBL12810779 0.81 HPGD (0.55) LMNAHPGDMCOLN3KDM4EALDH1A1
SCHEMBL192728 0.75 NCEH1 (0.54) LMNAKDM4EMAPTNPSR1NCEH1
SCHEMBL264367 0.74 CYP2A6 (0.55) LMNAHPGDKDM4EALDH1A1MAPT
SCHEMBL30350490 0.74 CYP2A6 (0.55) LMNAHPGDKDM4EALDH1A1MAPT
SCHEMBL1737861 0.73 ALDH1A1 (0.52) LMNAHPGDALDH1A1NPSR1DHODH
SCHEMBL27002437 0.73 NPSR1 (0.51) LMNAHPGDMCOLN3KDM4EALDH1A1
SCHEMBL30020656 0.72 DHODH (0.55) HPGDKDM4EALDH1A1MAPTNCEH1
SCHEMBL203205 0.72 DHODH (0.55) HPGDKDM4EALDH1A1MAPTNCEH1

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-1681290-B9 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-06-19 EP disclosed
EP-1681290-B1 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL (JP) 2011-11-16 EP disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
EP-1344777-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2011-03-16 EP disclosed
EP-1344777-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2011-03-16 EP disclosed
US-7141598-B2 Imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2006-11-28 US disclosed
EP-1681290-A2 Imidazole derivatives, production method thereof and use thereof Takeda Pharmaceutical Company Limited (JP) 2006-07-19 EP disclosed
EP-1334106-B1 IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-24 EP disclosed
US-6960586-B2 Imidazole derivatives, process for their preparation and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-01 US disclosed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
US-20040024039-A1 Imidazole derivatives, process for their preparation and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
EP-1344777-A1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2003-09-17 EP disclosed
EP-1334106-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 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 (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-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 LMNA 3296/4885HPGD 69/4885MCOLN3 3813/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC LMNA 2598/4885HPGD 3942/4885MCOLN3 1573/4885
US-20040024039-A1 Imidazole derivatives, process for their preparation and their use CYP17A1, HSD17B7, CYP51A1 LMNA 3107/4885HPGD 59/4885MCOLN3 3995/4885

“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.