SCHEMBL4745429

SCHEMBL4745429

O=C(NCc1ccccc1)c1ccc(C(=O)NNc2nccc(C(F)(F)F)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
HDAC4 P56524 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.48
MAPK1 P28482 2/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKG2 Q13237 1/20 0.48
ROCK1 Q13464 1/20 0.48

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
SCHEMBL4896716 0.91 HDAC3 (0.49) HDAC6HDAC4HDAC3HDAC1SYK
SCHEMBL3462421 0.76 ATR (0.44) MAP4K4PRKCGROCK1PKN2MAP4K5
SCHEMBL11979758 0.73 MAPK14 (0.76) HDAC6HDAC4LMNAMAPK1ROCK2
SCHEMBL14025812 0.73 PKM (0.47) HDAC6HDAC3MAPK1HDAC1SYK
SCHEMBL14025742 0.73 NAMPT (0.52) HTTSMN1; SMN2ROCK2ROCK1RAB9A
SCHEMBL4744989 0.73 HDAC6 (0.59) HDAC6SMN1; SMN2HDAC3MAPK1ROCK2
SCHEMBL14004681 0.72 HDAC6 (0.66) HDAC6HDAC4LMNASMN1; SMN2HDAC3
SCHEMBL11900090 0.71 HDAC6 (0.85) HDAC6HDAC4LMNAHDAC3MAPK1
SCHEMBL14005157 0.71 HDAC1 (0.68) HDAC6LMNAHDAC3MAPK1ROCK2
SCHEMBL1861286 0.71 GAA (0.55) LMNASMN1; SMN2MAPK1RAB9ATAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HDAC6 1039/4885HDAC4 2175/4885LMNA 4687/4885

“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.