SCHEMBL313250

SCHEMBL313250

CNC(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.62
DHODH Q02127 2/20 0.54
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC2 Q92769 1/20 0.52
NCEH1 Q6PIU2 1/20 0.50
PLK1 P53350 2/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIRT1 Q96EB6 2/20 0.48
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3033752 0.85 HDAC6 (0.73) PLAUHDAC8HDAC6HDAC2PLK1
SCHEMBL12571872 0.81 OGG1 (0.66) PLAUDHODHHTTSMN1; SMN2SIRT1
SCHEMBL6640227 0.81 PLAU (0.66) PLAUHDAC8HDAC6HDAC2PLK1
SCHEMBL761366 0.81 PLAU (0.66) PLAUHDAC8HDAC6HDAC2PLK1
SCHEMBL30369626 0.81 PLAU (0.66) PLAUHDAC8HDAC6HDAC2PLK1
SCHEMBL31069565 0.81 PLAU (0.51) PLAUDHODHHDAC8HDAC6HDAC2
SCHEMBL1737861 0.81 ALDH1A1 (0.52) PLAUDHODHHPGDHTTSIRT1
SCHEMBL1736411 0.81 CYP3A4 (0.53) PLAUDHODHHDAC8HDAC6HDAC2
SCHEMBL1665292 0.80 HDAC2 (0.71) HDAC8HDAC6HDAC2PLK1HPGD
SCHEMBL5431020 0.80 PLAU (0.55) PLAUDHODHSIRT1CYP3A4MEN1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115436500-A Method for identifying operable cut DNA coding seedling head compound 成都先导药物开发股份有限公司 2022-12-06 CN claimed
CN-115436500-A Method for identifying operable cut DNA coding seedling head compound 成都先导药物开发股份有限公司 2022-12-06 CN disclosed
US-10005780-B2 Production method of imidazole derivatives TAKEDA PHARMACEUTICAL COMPANY (JP) 2018-06-26 US disclosed
US-20160244454-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2016-08-25 US disclosed
US-9278938-B2 Production method of imidazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-08 US disclosed
CN-103608334-B The preparation method of imdazole derivatives TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-12-23 CN disclosed
EP-2721010-B1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-09-09 EP disclosed
US-8828429-B2 Release-control composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-09 US disclosed
EP-2721010-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2014-04-23 EP disclosed
US-20140100373-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-10 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
CN-1639130-A Process for preparing fused imidazole compounds, rifumassiy reagent in stable form and process for preparing same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-07-13 CN disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP 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 (5 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-20160244454-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES GRIK4, PPIP5K2, IP6K2 PLAU 3925/4885DHODH 1788/4885HDAC8 244/4885
US-10005780-B2 Production method of imidazole derivatives GRIK4, PPIP5K2, IP6K2 PLAU 3925/4885DHODH 1788/4885HDAC8 244/4885
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 PLAU 630/4885DHODH 148/4885HDAC8 885/4885
US-20140100373-A1 PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES GRIK4, PPIP5K2, IP6K2 PLAU 3925/4885DHODH 1788/4885HDAC8 244/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 PLAU 3952/4885DHODH 132/4885HDAC8 1768/4885

“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.