SCHEMBL2829994

SCHEMBL2829994

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NAMPT P43490 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2829176 0.88 POLB (0.56) F10MEN1KMT2ANAMPTNPC1
SCHEMBL5644655 0.87 SMN1; SMN2 (0.44) MEN1KMT2ANAMPTRAB9AALDH1A1
SCHEMBL1066788 0.87 F10 (0.53) F10MEN1KMT2ANAMPTNPC1
SCHEMBL13949629 0.87 MEN1 (0.54) F10MEN1KMT2ANAMPTNPC1
SCHEMBL12772560 0.87 NPC1 (0.57) F10MEN1KMT2ANAMPTNPC1
SCHEMBL3662421 0.87 F10 (0.53) F10MEN1KMT2ANAMPTNPC1
SCHEMBL1062994 0.86 F10 (0.55) F10MEN1KMT2ANAMPTNPC1
SCHEMBL30944732 0.86 F10 (0.55) F10MEN1KMT2ANAMPTNPC1
SCHEMBL30091856 0.86 GAA (0.53) F10MEN1KMT2ANAMPTNPC1
SCHEMBL1705479 0.86 GAA (0.53) F10MEN1KMT2ANAMPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
CN-101805309-A Benzamide derivatives as histone deacetylase inhibitors ASTRAZENECA AB 2010-08-18 CN disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 US disclosed
CN-1642915-A Benzamide derivatives useful as inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
EP-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 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 (3 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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 F10 3874/4885MEN1 3981/4885KMT2A 101/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 F10 3402/4885MEN1 3576/4885KMT2A 70/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 F10 3678/4885MEN1 4089/4885KMT2A 107/4885

“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.