SCHEMBL2328166

SCHEMBL2328166

N/C(=N\O)c1ccc(C2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM1A O60341 2/20 0.39
SERPINE1 P05121 1/20 0.39
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
CYP2C9 P11712 1/20 0.36
ESR2 Q92731 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SYK P43405 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2328170 1.00 KMT2A (0.57) KMT2AMEN1MAPK1KDM1ASERPINE1
SCHEMBL2636397 0.82 MEN1 (0.60) KMT2AMEN1MAPK1KDM1ARAB9A
SCHEMBL2636394 0.82 MEN1 (0.60) KMT2AMEN1MAPK1KDM1ARAB9A
SCHEMBL2327622 0.75 MAOA (0.46) KMT2AMEN1MAPK1KDM1A
SCHEMBL2327626 0.75 MAOA (0.46) KMT2AMEN1MAPK1KDM1A
SCHEMBL2324019 0.75 LMNA (0.38) KMT2AMEN1MAPK1KDM1ALMNA
SCHEMBL2324022 0.75 LMNA (0.38) KMT2AMEN1MAPK1KDM1ALMNA
SCHEMBL1334368 0.75 KMT2A (0.45) KMT2AMEN1MAPK1KDM1AGAA
SCHEMBL1334373 0.75 KMT2A (0.45) KMT2AMEN1MAPK1KDM1AGAA
SCHEMBL13267390 0.73 SERPINE1 (0.53) SERPINE1RAB9AHDAC1HDAC8HDAC6

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-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 US disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof HIF1AN, VHL, HIF1A KMT2A 3186/4885MEN1 1887/4885MAPK1 1198/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL KMT2A 924/4885MEN1 2985/4885MAPK1 902/4885

“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.