SCHEMBL4899402

SCHEMBL4899402

COC(=O)c1ccc(-c2ncccc2C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAF1 P04049 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL4899148 0.87 ALOX15 (0.49) ERN1ALOX15HTTALDH1A1KDM4E
SCHEMBL15330922 0.82 ERN1 (0.47) ERN1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL15999117 0.81 TRPV1 (0.60) ALOX15HTTALDH1A1KDM4EMAPT
SCHEMBL15266332 0.81 KDM4E (0.62) ERN1ALOX15HTTALDH1A1KDM4E
SCHEMBL14886474 0.79 TRPV1 (0.57) ERN1ALOX15HTTALDH1A1KDM4E
SCHEMBL26602969 0.79 ERN1 (0.45) ERN1ALOX15HTTALDH1A1KDM4E
SCHEMBL27530670 0.79 ALDH1A1 (0.59) ERN1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4891217 0.78 TRPV1 (0.49) ALOX15HTTALDH1A1KDM4EMAPT
SCHEMBL30479918 0.77 TRIM24 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL17981355 0.76 KDM4E (0.60) ALOX15HTTALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 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 (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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 ERN1 1721/4885ALOX15 4686/4885HTT 2920/4885

“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.