SCHEMBL6216488

SCHEMBL6216488

CC(=O)Nc1cc(C)cc(C(C)=O)c1OCC(O)CN1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
BAZ2B Q9UIF8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APAF1 O14727 1/20 0.44
ACHE P22303 1/20 0.43
ABCB1 P08183 1/20 0.41
CCR1 P32246 2/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6212522 0.91 BAZ2B (0.46) HDAC1HDAC6BAZ2BMEN1MAPT
SCHEMBL6214974 0.87 HDAC1 (0.49) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6214538 0.85 CCR1 (0.51) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6215974 0.85 HDAC1 (0.51) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6215265 0.85 CCR1 (0.55) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6215795 0.84 MEN1 (0.58) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6218306 0.81 CCR1 (0.52) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6211345 0.80 CCR1 (0.52) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6213814 0.80 CCR1 (0.58) HDAC1HDAC6BAZ2BALDH1A1KDM4E
SCHEMBL6215226 0.80 ALDH1A1 (0.49) HDAC1HDAC6BAZ2BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US claimed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US claimed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X HDAC1 1604/4885HDAC6 413/4885BAZ2B 4516/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 HDAC1 1532/4885HDAC6 446/4885BAZ2B 4529/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 HDAC1 1911/4885HDAC6 400/4885BAZ2B 4430/4885

“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.