SCHEMBL4459745

SCHEMBL4459745

COc1ccc(CCNCC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ATM Q13315 1/20 0.58
ANPEP P15144 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ALDH1A1 P00352 1/20 0.55
F2RL1 P55085 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CA5A P35218 1/20 0.54
CA14 Q9ULX7 1/20 0.54
GLA P06280 1/20 0.54
CA4 P22748 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL11435183 0.91 SMN1; SMN2 (0.53) SMN1; SMN2F2RL1POLB
SCHEMBL524586 0.85 KMT2A (0.64) SMN1; SMN2KMT2AMEN1ATMALDH1A1
SCHEMBL13113227 0.85 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMEN1ATMANPEP
SCHEMBL9544789 0.85 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1ATMANPEP
SCHEMBL7529531 0.83 MEN1 (0.56) KMT2AMEN1ATMANPEPERAP2
SCHEMBL8594413 0.83 MEN1 (0.58) SMN1; SMN2KMT2AMEN1ATMANPEP
SCHEMBL13101471 0.81 KMT2A (0.56) SMN1; SMN2KMT2AMEN1ATMANPEP
SCHEMBL1967746 0.81 PKM (0.62) SMN1; SMN2KMT2AATMALDH1A1CA12
SCHEMBL28661867 0.80 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMEN1ATMANPEP
SCHEMBL7924560 0.80 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AMEN1ALDH1A1GLA

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 SMN1; SMN2 1437/4885KMT2A 4770/4885MEN1 3458/4885

“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.