SCHEMBL1758631

SCHEMBL1758631

O=CNc1cc(Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
TP53 P04637 1/20 0.42
EPHX1 P07099 2/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CXCL8 P10145 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC3 O15379 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
SCHEMBL7675951 0.85 TSHR (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL27978437 0.83 MEN1 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL325006 0.83 CA1 (0.50) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL30132193 0.83 CA1 (0.50) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL5519988 0.81 ALDH1A1 (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL14532525 0.79 KDM5A (0.58) MEN1KMT2APOLBHPGD
SCHEMBL1758468 0.79 RAB9A (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5218972 0.79 TDP1 (0.55) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1758540 0.79 RAPGEF4 (0.50) KMT2APOLBMAPTALDH1A1RAPGEF4
SCHEMBL20856900 0.78 IDO1 (0.47) MEN1KMT2APOLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-2842955-B1 TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO (JP) 2016-10-05 EP disclosed
EP-2842955-A1 Trk-INHIBITING COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2015-03-04 EP disclosed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
US-5026831-A Water-insoluble disazo colorants having hetero-bicyclic methylene-active compounds as coupling component HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
EP-0316649-A2 Water insoluble azo colouring agents, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 EP disclosed
EP-0003259-B1 N-FORMYLANILIDO AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PROCESS FOR THE PREPARATION OF THE CORRESPONDING N-PHENYL AROMATIC AMINO COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-24 EP disclosed
US-4292446-A N-FORMYLANILINO AROMATICS, DIPHENYLAMINE INTERMEDIATES, PESTICIDES, PREPARATION FROM FORMANILIDES AND HALOAROMATICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-29 US disclosed
EP-0003259-A1 N-Formylanilido aromatic compounds, process for their preparation and process for the preparation of the corresponding N-phenyl aromatic amino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 EP 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 MEN1 3204/4885KMT2A 671/4885POLB 1780/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MEN1 2892/4885KMT2A 2948/4885POLB 3236/4885

“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.