SCHEMBL13655418

SCHEMBL13655418

COc1cnccc1CNCC(=O)Nc1ccc(C#CC#Cc2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13659684 0.91 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL438351 0.89 KMT2A (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL459899 0.86 KMT2A (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL399429 0.84 KDM4E (0.47) KDM4EALDH1A1LMNAHPGD
SCHEMBL437693 0.83 HTT (0.44) ALDH1A1MEN1KMT2ALMNA
SCHEMBL404936 0.82 HDAC1 (0.47) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL403613 0.81
SCHEMBL438062 0.81 KDM4E (0.48) KDM4EALDH1A1LMNAHPGD
SCHEMBL404451 0.81 KDM4E (0.43) KDM4E
SCHEMBL405143 0.81 TERT (0.39)

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-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KDM4E 4327/4885ALDH1A1 782/4885MEN1 2414/4885

“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.