SCHEMBL4223902

SCHEMBL4223902

O=C(C=Cc1cnc(NC2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CCR3 P51677 2/20 0.41
SIGMAR1 Q99720 5/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
KDM1A O60341 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
GPR183 P32249 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
SCHEMBL4223890 1.00 ACHE (0.42) ACHEMAOAMAOBKMT2AMEN1
SCHEMBL4221533 0.96 CCR3 (0.42) ACHEMAOAMAOBKMT2AMEN1
SCHEMBL4221524 0.96 CCR3 (0.42) ACHEMAOAMAOBKMT2AMEN1
SCHEMBL4222056 0.93 ACHE (0.43) ACHEMAOAMAOBSIGMAR1UBE2M
SCHEMBL4222042 0.93 ACHE (0.43) ACHEMAOAMAOBSIGMAR1UBE2M
SCHEMBL4223490 0.93 MCHR1 (0.41) ACHEMAOAMAOBKMT2AMEN1
SCHEMBL4223498 0.93 MCHR1 (0.41) ACHEMAOAMAOBKMT2AMEN1
SCHEMBL4231670 0.93 HTR2A (0.45) ACHEMAOAMAOBSIGMAR1BCHE
SCHEMBL4231673 0.93 HTR2A (0.45) ACHEMAOAMAOBSIGMAR1BCHE
SCHEMBL4226363 0.90 MCHR1 (0.47) ACHEBCHEMCHR1GPR183

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 4 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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US 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 ACHE 4051/4885MAOA 823/4885MAOB 956/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 ACHE 3895/4885MAOA 515/4885MAOB 535/4885

“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.