SCHEMBL1736411

SCHEMBL1736411

CCNC(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
DHODH Q02127 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL14157778 0.89 HPGDS (0.55) CYP3A4MEN1KMT2AHPGDSHDAC3
SCHEMBL3949393 0.83 HDAC3 (0.62) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL2748857 0.83 CYP3A4 (0.50) CYP3A4L3MBTL1DHODHMEN1CYP1A2
SCHEMBL31047583 0.82 L3MBTL1 (0.58) CYP3A4L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL31047595 0.82 L3MBTL1 (0.58) CYP3A4L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL4764424 0.82 OGG1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30618513 0.81 L3MBTL1 (0.75) L3MBTL1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5426936 0.81 L3MBTL1 (0.75) L3MBTL1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL313250 0.81 PLAU (0.62) CYP3A4DHODHMEN1KMT2AHDAC2
SCHEMBL12571872 0.81 OGG1 (0.66) CYP3A4L3MBTL1DHODHMEN1CYP1A2

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
CN-100572363-C Imdazole derivatives, Its Preparation Method And Use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-12-23 CN disclosed
CN-1329394-C Novel imidazole derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-08-01 CN disclosed
CN-1900079-A New imidazole derivative, method for producing the same and use of the same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-01-24 CN 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
CN-1680336-A New imidazole derivative, method for producing the same and use of the same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-12 CN disclosed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
CN-1474819-A Novel imidazole derivatives, process for producing the same and use thereof ����ҩƷ��ҵ��ʽ���� 2004-02-11 CN 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 (2 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 CYP3A4 195/4885L3MBTL1 2199/4885DHODH 148/4885
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC CYP3A4 3791/4885L3MBTL1 796/4885DHODH 4373/4885

“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.