SCHEMBL4895447

SCHEMBL4895447

C=C(CNCc1cccnc1)c1ccc(C(=O)Nc2cccnc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.54
NAMPT P43490 3/20 0.54
HDAC2 Q92769 6/20 0.49
HDAC3 O15379 5/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CYP3A4 P08684 2/20 0.49
NCOR2 Q9Y618 2/20 0.49
KDM1A O60341 1/20 0.49
F3 P13726 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
NCOR1 O75376 2/20 0.46

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
SCHEMBL4889559 0.91 HDAC1 (0.66) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL1566551 0.82 HDAC1 (0.69) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL5158923 0.81 HDAC1 (0.60) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL4897948 0.78 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL2418733 0.77 HDAC1 (0.74) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL1567248 0.76 HDAC1 (0.68) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL1565605 0.76 HDAC1 (0.53) HDAC1NAMPTHDAC2HDAC3HDAC11
Nicotinyl Alcohol SCHEMBL1566453 0.76 HDAC1 (0.49) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL1566548 0.76 HDAC1 (0.58) HDAC1NAMPTHDAC2HDAC3HDAC11
SCHEMBL12634200 0.76 HDAC1 (0.83) HDAC1NAMPTHDAC2HDAC3HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP claimed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO claimed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 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-20080234254-A1 Inhibitors of Histone Deacetylase HDAC8, HDAC4, HDAC5 HDAC1 4/4885NAMPT 351/4885HDAC2 7/4885

“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.