SCHEMBL11577394

SCHEMBL11577394

O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.68
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ERN1 O75460 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PDE7A Q13946 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
EPAS1 Q99814 1/20 0.43
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6923805 0.86 TBXA2R (0.49) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL6928480 0.85 MAPT (0.56) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL6930116 0.85 HSPB1 (0.49) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL21177892 0.83 HSPB1 (0.77) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL6536062 0.82 ALDH1A1 (0.49) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL31287841 0.82 HSPB1 (0.82) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL274702 0.81 LMNA (0.52) HSPB1MAPTALDH1A1KMT2AERN1
SCHEMBL7111696 0.80 PTGS2 (0.51) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL275261 0.80 PDE7A (0.51) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL29227165 0.80 CYP19A1 (0.56) HSPB1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045367-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS LLC 2015-02-12 US disclosed
US-20150045367-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS LLC 2015-02-12 US disclosed
US-20150045367-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS LLC 2015-02-12 US disclosed
EP-2797875-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 Pharmacyclics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101600-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS, INC. (US) 2013-07-04 WO disclosed
WO-2013101600-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS, INC. (US) 2013-07-04 WO disclosed
US-4118572-A CNS DEPRESSANTS, NEUROLEPTIC AGENTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-10-03 US disclosed
US-4105664-A Dibenz[b,f]oxepin derivatives HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4100173-A DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-07-11 US disclosed
US-4091023-A ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1978-05-23 US disclosed
US-4032525-A CNS DEPRESSANTS, NEUROLEPTICS HOFFMANN-LA ROCHE INC. (US) 1977-06-28 US 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 (1 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-20150045367-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 HDAC8, HDAC5, HDAC7 HSPB1 865/4885MAPT 2192/4885ALDH1A1 688/4885

“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.