SCHEMBL689380

SCHEMBL689380

COC(=O)c1[nH]c(-c2ccccc2)c([N+](=O)[O-])c1-c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
TP53 P04637 3/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL688626 0.91 FBP1 (0.48) KMT2AMAPTMEN1GAAABCB1
SCHEMBL689175 0.91 FBP1 (0.48) KMT2AMAPTMEN1GAAABCB1
SCHEMBL13587122 0.88 KMT2A (0.42) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL13587120 0.88 KMT2A (0.42) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL12971389 0.87 MEN1 (0.44) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL10024674 0.82 KMT2A (0.37) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL14025830 0.82 LMNA (0.48) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL13598058 0.81 CNR1 (0.41) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL13587123 0.81 SMN1; SMN2 (0.38) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL13597945 0.80 SMN1; SMN2 (0.41) KMT2AMAPTMEN1GAASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038545-A1 HYDROXYPHENYL PYRROLE COMPOUNDS CONTAINING AN HYDROXAMIC ACID AS HDAC INHIBITORS AND MEDICINAL APPLICATIONS THEREOF Universidad Del País Vasco (ES) 2015-02-05 US disclosed
EP-2508510-A1 Hydroxyphenyl pyrrole compounds containing an hydroxamic acid as hdac inhibitors and medicinal applications thereof Ikerchem, S.L. (ES) 2012-10-10 EP disclosed
EP-1975158-B9 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2012-02-29 EP disclosed
EP-1975158-B1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2011-07-13 EP disclosed
US-7638550-B2 new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) 2009-12-29 US disclosed
US-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) 2008-10-23 US disclosed
EP-1975158-A1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO UNIBERSITATEA (ES) 2008-10-01 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-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity HDAC1, HDAC11, HDAC5 KMT2A 71/4885MAPT 3317/4885MEN1 4099/4885
US-20150038545-A1 HYDROXYPHENYL PYRROLE COMPOUNDS CONTAINING AN HYDROXAMIC ACID AS HDAC INHIBITORS AND MEDICINAL APPLICATIONS THEREOF HDAC1, HDAC5, HDAC2 KMT2A 37/4885MAPT 1685/4885MEN1 3315/4885

“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.