SCHEMBL1708429

SCHEMBL1708429

O=C(O)/C=C/c1cnc(N[C@@H]2CCCN(CCc3ccc(F)c(F)c3)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
CCR2 P41597 1/20 0.42
ROCK1 Q13464 1/20 0.42
LTA4H P09960 1/20 0.38
CCR3 P51677 1/20 0.38
MAPK1 P28482 1/20 0.38
PDPK1 O15530 1/20 0.37
KAT2B Q92831 2/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1708431 1.00 ROCK2 (0.42) ROCK2CCR2ROCK1LTA4HCCR3
SCHEMBL1707074 0.95 SIGMAR1 (0.40) ROCK2CCR2ROCK1CCR3PDPK1
SCHEMBL1707075 0.95 SIGMAR1 (0.40) ROCK2CCR2ROCK1CCR3PDPK1
SCHEMBL1707637 0.92 ROCK2 (0.41) ROCK2CCR2ROCK1LTA4HCCR3
SCHEMBL1707635 0.92 ROCK2 (0.41) ROCK2CCR2ROCK1LTA4HCCR3
Hydrochloric Acid SCHEMBL1707329 0.91 ROCK2 (0.40) ROCK2CCR2ROCK1LTA4HCCR3
Hydrochloric Acid SCHEMBL1707327 0.91 ROCK2 (0.40) ROCK2CCR2ROCK1LTA4HCCR3
Hydrochloric Acid SCHEMBL1707276 0.91 ROCK2 (0.40) ROCK2CCR2ROCK1LTA4HCCR3
SCHEMBL1707646 0.91 ROCK2 (0.40) ROCK2CCR2ROCK1LTA4HCCR3
SCHEMBL1706817 0.89 SLC6A3 (0.43) CCR3MAPK1KDM4EATMALDH1A1

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 ROCK2 1869/4885CCR2 2338/4885ROCK1 1641/4885

“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.