SCHEMBL5849540

SCHEMBL5849540

COC(=O)CCCNc1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 3/20 0.47
HPGD P15428 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TOP2A P11388 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL13007600 0.82 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL5848939 0.80 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL6498162 0.80 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2HPGDCA1
SCHEMBL5856769 0.76 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2CA1CA2
SCHEMBL6670720 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL6496575 0.74 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL9756822 0.74 LMNA (0.60) LMNAALDH1A1SMN1; SMN2TSHRCA1
SCHEMBL25191613 0.72 LMNA (0.53) LMNAALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL17234481 0.72 ALDH1A1 (0.60) LMNAALDH1A1HPGDCA1CA2
SCHEMBL6490227 0.71 ALDH1A1 (0.65) ALDH1A1HPGD

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-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

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 LMNA 4352/4885ALDH1A1 3346/4885SMN1; SMN2 4536/4885

“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.