SCHEMBL14797299

SCHEMBL14797299

O=C(NCCc1cccnc1)c1cc[c]cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
NPC1 O15118 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
PTAFR P25105 4/20 0.58
TBXAS1 P24557 1/20 0.57
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.56
NAMPT P43490 4/20 0.56
EPHX2 P34913 1/20 0.54

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
SCHEMBL4662136 0.87 RAB9A (0.83) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL3204774 0.86 LMNA (0.67) KMT2AMEN1MAPTGAANAMPT
SCHEMBL13211915 0.83 RAB9A (0.70) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL506616 0.82 NAMPT (0.67) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL13766380 0.82 HDAC2 (0.63) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL2118595 0.82 HDAC2 (0.69) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL13762095 0.81 ALDH1A1 (0.76) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL1831475 0.81 HDAC2 (0.62) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL19226497 0.80 LMNA (0.64) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL8739011 0.79 RAB9A (0.66) HDAC2HDAC8HDAC6RAB9AKMT2A

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
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 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-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 HDAC2 215/4885HDAC8 408/4885HDAC6 217/4885

“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.