SCHEMBL6214974

SCHEMBL6214974

CC(=O)Nc1cc(C)ccc1OCC(O)CN1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
BAZ2B Q9UIF8 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APAF1 O14727 1/20 0.47
CCR1 P32246 4/20 0.46
ABCB1 P08183 1/20 0.45
ACHE P22303 5/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 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
SCHEMBL6215974 0.95 HDAC1 (0.51) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6214538 0.94 CCR1 (0.51) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6218306 0.91 CCR1 (0.52) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6215795 0.91 MEN1 (0.58) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6212588 0.91 HDAC1 (0.49) HDAC1HDAC6BAZ2BSMN1; SMN2MEN1
SCHEMBL6215265 0.90 CCR1 (0.55) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6211345 0.90 CCR1 (0.52) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6215226 0.89 ALDH1A1 (0.49) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6216488 0.87 HDAC1 (0.49) HDAC1HDAC6BAZ2BSMN1; SMN2KDM4E
SCHEMBL6217739 0.85 BAZ2B (0.51) HDAC1HDAC6BAZ2BMEN1MAPT

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 15 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
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-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263760-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-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062728-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.