SCHEMBL1708477

SCHEMBL1708477

O=C(O)/C=C/c1cnc(N[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.41
LTA4H P09960 1/20 0.40
CCR2 P41597 4/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 2/20 0.39
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 2/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1708479 1.00 KAT2B (0.41) KAT2BLTA4HCCR2ROCK2ROCK1
SCHEMBL1707552 0.94 CNR1 (0.41) CCR2
SCHEMBL1707549 0.94 CNR1 (0.41) CCR2
SCHEMBL4217867 0.93 CCR2 (0.46) KAT2BCCR2ROCK2ROCK1KMT2A
SCHEMBL4217875 0.93 CCR2 (0.46) KAT2BCCR2ROCK2ROCK1KMT2A
SCHEMBL4229385 0.92 KAT2B (0.45) KAT2BLTA4HKMT2A
SCHEMBL4229392 0.92 KAT2B (0.45) KAT2BLTA4HKMT2A
SCHEMBL1707419 0.91 HDAC1 (0.42) KAT2BLTA4HCCR2ROCK2ROCK1
SCHEMBL1707426 0.91 HDAC1 (0.42) KAT2BLTA4HCCR2ROCK2ROCK1
Hydrochloric Acid SCHEMBL1707668 0.90 HDAC1 (0.41) KAT2BLTA4HCCR2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 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 (1 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 KAT2B 23/4885LTA4H 752/4885CCR2 2338/4885

“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.