SCHEMBL13655008

SCHEMBL13655008

C=C(N[C@H](C(=O)NO)[C@@H](C)O)c1ccc(C#Cc2ccc(NC(=O)CNCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL13659655 0.93 KDM4E (0.42) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL402705 0.92 SMN1; SMN2 (0.45) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13655038 0.90 HTT (0.39) SMN1; SMN2
SCHEMBL13655005 0.90 KDM4E (0.43) KDM4E
SCHEMBL13655009 0.88 KMT2A (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL13655014 0.85 HDAC1 (0.40) ALDH1A1
SCHEMBL1912181 0.84 SMN1; SMN2 (0.47) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13654997 0.84 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL13655028 0.83 LMNA (0.44) KDM4EALDH1A1
SCHEMBL13655035 0.83 HDAC1 (0.41)

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 4327/4885NPC1 371/4885ALDH1A1 782/4885

“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.