SCHEMBL4223188

SCHEMBL4223188

O=C(O)C=Cc1ccc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.48
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4223185 1.00 FAAH (0.48) FAAHKDM4EGAAALDH1A1POLB
SCHEMBL4218761 0.91 ALOX5 (0.50) FAAHGAAMAPTNPC1TP53
SCHEMBL4218751 0.91 ALOX5 (0.50) FAAHGAAMAPTNPC1TP53
SCHEMBL4217647 0.91 PAK1 (0.52) FAAHKDM4EALDH1A1POLBMAPT
SCHEMBL4217649 0.91 PAK1 (0.52) FAAHKDM4EALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL4223280 0.90 FAAH (0.47) FAAHKDM4EGAAALDH1A1POLB
Hydrochloric Acid SCHEMBL4223275 0.90 FAAH (0.47) FAAHKDM4EGAAALDH1A1POLB
SCHEMBL4224003 0.88 PAK1 (0.54) FAAHGAAMAPTSMN1; SMN2
SCHEMBL4223998 0.88 PAK1 (0.54) FAAHGAAMAPTSMN1; SMN2
SCHEMBL4228358 0.88 FAAH (0.50) FAAHKDM4EGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 FAAH 333/4885KDM4E 200/4885GAA 1351/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 FAAH 288/4885KDM4E 195/4885GAA 1156/4885

“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.