SCHEMBL2830700

SCHEMBL2830700

CN1CCN(c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.64
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
PLA2G1B P04054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
KLKB1 P03952 1/20 0.52

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
SCHEMBL12193409 0.82 ALDH1A1 (0.45) F10POLBPLA2G1BSMN1; SMN2ATG4B
SCHEMBL12279845 0.82 ALDH1A1 (0.53) F10NPC1RAB9APOLBPLA2G1B
SCHEMBL12666634 0.82 F10 (0.61) F10NPC1RAB9APOLBMAPK1
SCHEMBL4392946 0.82 NPC1 (0.46) F10NPC1RAB9AMAPK1HDAC3
SCHEMBL12193333 0.81 NAMPT (0.46) F10POLBPLA2G1BSMN1; SMN2ATG4B
SCHEMBL8908801 0.81 MAPK1 (0.57) NPC1POLBMAPK1SMN1; SMN2
SCHEMBL4392937 0.81 NPC1 (0.45) F10NPC1RAB9AMAPK1
SCHEMBL3834512 0.81 HDAC1 (0.47) F10NPC1RAB9AMAPK1HDAC3
SCHEMBL2830646 0.80 MAPK1 (0.50) F10POLBMAPK1HDAC3
SCHEMBL993933 0.80 GAA (0.64) NPC1RAB9APOLBSMN1; SMN2

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 3874/4885NPC1 1120/4885RAB9A 2717/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 F10 3402/4885NPC1 902/4885RAB9A 2731/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 F10 3678/4885NPC1 1023/4885RAB9A 2667/4885

“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.