SCHEMBL4221889

SCHEMBL4221889

O=C(O)/C=C/c1ccc(N[C@@H]2CCN(CC3CC3)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 1/20 0.40
KDM1A O60341 1/20 0.39
GCK P35557 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
HCAR3 P49019 1/20 0.38
CCR1 P32246 1/20 0.37
MELK Q14680 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL4221891 1.00 P4HTM (0.41) P4HTMHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5168703 1.00 P4HTM (0.41) P4HTMHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5170168 0.89 HCAR3 (0.41) P4HTMKDM2BHCAR3CCR1PIM2
SCHEMBL4227640 0.89 HCAR3 (0.41) P4HTMKDM2BHCAR3CCR1PIM2
SCHEMBL4215489 0.89 HCAR3 (0.41) P4HTMKDM2BHCAR3CCR1PIM2
SCHEMBL4215495 0.89 HCAR3 (0.41) P4HTMKDM2BHCAR3CCR1PIM2
SCHEMBL4227644 0.89 HCAR3 (0.41) P4HTMKDM2BHCAR3CCR1PIM2
Hydrochloric Acid SCHEMBL4227323 0.88 HDAC1 (0.41) HTR2AHTR2CHTR2BSIGMAR1DRD2
Hydrochloric Acid SCHEMBL4227337 0.88 HDAC1 (0.41) HTR2AHTR2CHTR2BSIGMAR1DRD2
Hydrochloric Acid SCHEMBL5172336 0.88 HDAC1 (0.41) HTR2AHTR2CHTR2BSIGMAR1DRD2

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 P4HTM 3332/4885HTR2A 621/4885HTR2C 1291/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 P4HTM 1753/4885HTR2A 436/4885HTR2C 847/4885

“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.