SCHEMBL5849288

SCHEMBL5849288

O=C(O)CCCNC(=O)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.69
KMT2A Q03164 7/20 0.68
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
EPHX2 P34913 1/20 0.62
MEN1 O00255 3/20 0.62
ALOX15 P16050 1/20 0.60
NAMPT P43490 1/20 0.56
HTR1A P08908 1/20 0.56

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
SCHEMBL10102476 0.94 HDAC3 (0.75) SMN1; SMN2ALDH1A1LMNAKMT2AHDAC3
SCHEMBL13299860 0.94 HDAC3 (0.75) SMN1; SMN2ALDH1A1LMNAKMT2AHDAC3
Hydrochloric Acid SCHEMBL3128502 0.93 HDAC3 (0.73) SMN1; SMN2ALDH1A1LMNAKMT2AHDAC3
SCHEMBL3188696 0.90 KMT2A (0.71) SMN1; SMN2ALDH1A1LMNAKMT2AHDAC3
SCHEMBL8516755 0.89 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL7374849 0.88 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL9341104 0.85 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL31658991 0.85 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL1428267 0.83 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL18912555 0.83 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 SMN1; SMN2 4536/4885ALDH1A1 3346/4885LMNA 4352/4885

“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.