SCHEMBL3025973

SCHEMBL3025973

O=C(CCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.72
POLB P06746 2/20 0.52
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 5/20 0.50
HDAC8 Q9BY41 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL729028 0.87 ALDH1A1 (0.60) GSK3BPOLBKMT2AALDH1A1HSD17B10
SCHEMBL7345361 0.84 SMN1; SMN2 (0.63) GSK3BPOLBKMT2AALDH1A1HSD17B10
SCHEMBL14711680 0.84 GSK3B (1.00) GSK3BPOLBCYP3A4KMT2AALDH1A1
SCHEMBL1719457 0.79 KMT2A (0.65) POLBKMT2AALDH1A1GAAHPGD
SCHEMBL7862778 0.78 GSK3B (0.59) GSK3BPOLBCYP3A4KMT2AHDAC8
SCHEMBL7861873 0.78 GSK3B (0.59) GSK3BPOLBCYP3A4KMT2AALDH1A1
SCHEMBL31627274 0.78 RAB9A (0.50) GSK3BPOLBKMT2AHDAC8ALDH1A1
SCHEMBL8562369 0.78 SMN1; SMN2 (0.56) KMT2AHDAC8ALDH1A1HDAC3HDAC4
SCHEMBL7357662 0.77 SMN1; SMN2 (0.48) GSK3BKMT2AHDAC8ALDH1A1HDAC3
SCHEMBL24798048 0.77 ALDH1A1 (0.54) CYP3A4KMT2AHDAC8ALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 GSK3B 627/4885POLB 3488/4885CYP3A4 2465/4885

“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.