SCHEMBL4176796

SCHEMBL4176796

CNC(=O)c1ccc(Cl)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC2 Q92769 1/20 0.52
MAOB P27338 1/20 0.47
PYGL P06737 1/20 0.46
MAPT P10636 2/20 0.45
PLAU P00749 1/20 0.45
CA2 P00918 1/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
PLK1 P53350 3/20 0.43
SLC6A2 P23975 3/20 0.43

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
SCHEMBL4161973 0.82 MEN1 (0.61) HDAC8HDAC6HDAC2MAOBMAPT
SCHEMBL6154331 0.81 KDM4E (0.55) HDAC8HDAC6MAOBMAPTCA2
SCHEMBL13568210 0.81 HPGD (0.45) HDAC8HDAC6MAOBMAPTCA2
SCHEMBL13753912 0.81 HPGD (0.50) HDAC8HDAC6MAOBMAPTCA2
SCHEMBL11959873 0.79 TAS1R3 (0.59) HDAC8HDAC6HDAC2PYGLMAPT
SCHEMBL3786490 0.79 SMN1; SMN2 (0.55) HDAC8HDAC6HDAC2PYGLMAPT
SCHEMBL18329647 0.79 SMN1; SMN2 (0.61) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL12100712 0.79 HDAC6 (0.53) HDAC8HDAC6HDAC2MAPTPLAU
SCHEMBL1841487 0.79 MAPT (0.51) HDAC8MAOBMAPTKMT2AHPGD
SCHEMBL728817 0.78 ALDH1A1 (0.58) MAPTCA2KMT2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
CN-101065366-A Dibenzyl amine compounds and derivatives PFIZER PROD INC (US) 2007-10-31 CN disclosed
EP-1817297-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Inc. (US) 2007-08-15 EP disclosed
WO-2006056854-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-06-01 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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP HDAC8 2096/4885HDAC6 2462/4885HDAC2 540/4885

“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.