SCHEMBL15969684

SCHEMBL15969684

COc1ccccc1-c1ccn([C@H]2CCCc3cc(C(=O)NO)ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
KDM1A O60341 3/20 0.43
HDAC1 Q13547 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC8 Q9BY41 2/20 0.40
POLB P06746 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL15969369 0.81 HDAC8 (0.47) HDAC6KDM1AHDAC1KMT2AHDAC8
SCHEMBL10246902 0.76 KMT2A (0.48) MEN1KMT2APOLB
SCHEMBL10246923 0.67 PDE4A (0.52) HDAC6HDAC1MEN1KMT2AHDAC8
SCHEMBL10246930 0.67 HDAC8 (0.54) HDAC6HDAC8RAB9ANPC1
SCHEMBL22943920 0.65 CHRNA7 (0.51) HDAC6
SCHEMBL22943911 0.65 CHRNA7 (0.51) HDAC6
SCHEMBL10249678 0.65 CHRNA7 (0.52) HDAC6HDAC1MEN1KMT2APOLB
SCHEMBL5944253 0.65 HDAC6 (0.60) HDAC6KDM1AHDAC1KMT2AHDAC8
SCHEMBL22943674 0.64 HDAC6 (0.53) HDAC6HDAC8
SCHEMBL22943657 0.64 HDAC6 (0.53) HDAC6HDAC8

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885KDM1A 63/4885HDAC1 2/4885

“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.