SCHEMBL210905

SCHEMBL210905

Nc1ccccc1NC(=O)c1ccc(CC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.67
HDAC2 Q92769 4/20 0.57
HSD11B1 P28845 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
HDAC1 Q13547 6/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.51
BLM P54132 1/20 0.51
HTR1F P30939 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL212370 0.81 HDAC1 (0.57) KDM1AHDAC2HDAC1
SCHEMBL209679 0.81 KDM1A (0.63) KDM1AHDAC2SMN1; SMN2HDAC1
SCHEMBL19609244 0.81 KDM1A (1.00) KDM1A
SCHEMBL2759525 0.80 KDM1A (0.56) KDM1AHDAC2HDAC1
SCHEMBL213224 0.78 HDAC1 (0.60) KDM1AHDAC2HDAC1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL29721127 0.77 KDM1A (0.91) KDM1A
SCHEMBL28188848 0.75 MEN1 (0.77) HDAC2SMN1; SMN2HDAC1CYP1A2CYP2D6
SCHEMBL211060 0.75 HDAC1 (0.57) KDM1AHDAC2HDAC1KCNH2
SCHEMBL213223 0.74 HDAC1 (0.49) KDM1AHDAC2SMN1; SMN2HDAC1ALDH1A1
SCHEMBL2733603 0.73 KDM4E (0.62) KDM1AHDAC2SMN1; SMN2HDAC1CYP3A4

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KDM1A 43/4885HDAC2 10/4885HSD11B1 1300/4885

“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.