SCHEMBL10130293

SCHEMBL10130293

O=C(O)c1ccccc1NCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
POLB P06746 2/20 0.59
CASP1 P29466 1/20 0.59
HPGD P15428 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
LPAR2 Q9HBW0 4/20 0.52
NPC1 O15118 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 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
SCHEMBL14305177 0.80 HDAC8 (0.70) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL11884278 0.79 ALDH1A1 (0.67) MEN1KMT2APOLBCASP1HPGD
SCHEMBL7604289 0.77 SLC6A2 (0.55) MEN1KMT2AHPGDALDH1A1HSD17B10
SCHEMBL8689214 0.77 ALDH1A1 (0.79) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL1665592 0.76 ALDH1A1 (0.67) KMT2APOLBHPGDALDH1A1HSD17B10
SCHEMBL9135860 0.74 MAPT (0.68) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL993102 0.74 HPGD (0.65) POLBHPGDALDH1A1HSD17B10HTT
SCHEMBL5515007 0.74 ALDH1A1 (0.81) POLBHPGDALDH1A1HSD17B10MAPT
SCHEMBL22182078 0.74 LPAR2 (0.51) MEN1KMT2APOLBCASP1HPGD
SCHEMBL9218494 0.73 ACHE (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028912-A1 Methods of modulating bromodomains J.David Gladstone Institute 2012-02-02 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-20120028912-A1 Methods of modulating bromodomains BAZ2A, BRPF3, BRD3 MEN1 4767/4885KMT2A 255/4885POLB 1307/4885

“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.