SCHEMBL4223333

SCHEMBL4223333

O=C(O)/C=C/c1ccc(N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
SIGMAR1 Q99720 3/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 1/20 0.47
CCR2 P41597 5/20 0.46
DRD4 P21917 1/20 0.46
TEAD1 P28347 1/20 0.46
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL5196321 1.00 JAK2 (0.49) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL4223338 1.00 JAK2 (0.49) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL4223846 0.94 CCR2 (0.47) CCR2ROCK2ROCK1KMT2A
SCHEMBL4223850 0.94 CCR2 (0.47) CCR2ROCK2ROCK1KMT2A
SCHEMBL4221451 0.92 HTR2A (0.56) JAK1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL4219112 0.92 HTR2A (0.56) JAK1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL4219115 0.92 HTR2A (0.56) JAK1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL4221456 0.92 HTR2A (0.56) JAK1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL4218578 0.92 HTR2A (0.56) JAK1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL4218586 0.92 HTR2A (0.56) JAK1SIGMAR1DRD2HTR2AHTR2C

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 JAK2 1495/4885JAK1 3077/4885TYK2 1259/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 JAK2 1640/4885JAK1 3296/4885TYK2 1205/4885

“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.