SCHEMBL2969766

SCHEMBL2969766

CN1CCN(c2ccc(N)c(C(=O)Nc3cc(C(=O)Nc4cc(F)cc(N5CCOCC5)c4)ccc3Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
PLAU P00749 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 2/20 0.45
LCK P06239 1/20 0.45
KDR P35968 1/20 0.45
CSF1R P07333 2/20 0.44
LYN P07948 1/20 0.44
KIT P10721 1/20 0.44
RAD52 P43351 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 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
SCHEMBL7853049 0.89 HDAC3 (0.49) HDAC3HDAC8PLAURAB9ANPC1
SCHEMBL2980235 0.89 SIRT6 (0.51) NPC1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2980968 0.83 KCNQ3 (0.52) HDAC3PLAURAB9ANPC1SMN1; SMN2
SCHEMBL4831818 0.83 HDAC3 (0.52) HDAC3HDAC8PLAUMAPK14LCK
SCHEMBL2965722 0.83 PLAU (0.44) HDAC3HDAC8PLAURAB9ANPC1
SCHEMBL2965603 0.83 PLAU (0.44) PLAURAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL7821577 0.82 HDAC3 (0.48) HDAC3HDAC8PLAURAB9ANPC1
SCHEMBL27511641 0.82 HTR1D (0.44) HDAC3HDAC8RAB9ANPC1SMN1; SMN2
SCHEMBL7848917 0.82 ALDH1A1 (0.49) NPC1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL2977919 0.81 PLAU (0.55) HDAC3HDAC8PLAURAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
CN-1243724-C Amide derivatives which are useful as cell factor inhibitors ASTRA ZENECA LTD (SE) 2006-03-01 CN disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (2 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 HDAC3 66/4885HDAC8 396/4885PLAU 2435/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B HDAC3 51/4885HDAC8 1398/4885PLAU 3125/4885

“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.