SCHEMBL10246883

SCHEMBL10246883

O=C(NO)c1ccc2c(c1)CCC(NC(=O)c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.65
HDAC6 Q9UBN7 9/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SMYD3 Q9H7B4 1/20 0.51
HDAC1 Q13547 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
TAOK1 Q7L7X3 1/20 0.49

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
SCHEMBL22289338 0.86 MEN1 (0.68) HDAC8MEN1NPC1RAB9AKMT2A
SCHEMBL30823644 0.86 MEN1 (0.68) HDAC8MEN1NPC1RAB9AKMT2A
SCHEMBL14349709 0.83 TAOK1 (0.65) HDAC8MEN1NPC1RAB9AKMT2A
SCHEMBL10246889 0.82 CA1 (0.58) HDAC8HDAC6HDAC1
SCHEMBL10247059 0.82 PRMT5 (0.51) HDAC8HDAC6
SCHEMBL10247061 0.81 NPC1 (0.51) HDAC8HDAC6MEN1NPC1RAB9A
SCHEMBL17478436 0.80 MTNR1A (0.53) HDAC8MEN1NPC1RAB9AKMT2A
SCHEMBL17478438 0.80 MTNR1A (0.53) HDAC8MEN1NPC1RAB9AKMT2A
SCHEMBL10247271 0.80 HDAC8 (0.68) HDAC8HDAC6MEN1NPC1RAB9A
SCHEMBL10246967 0.80 CHRNA7 (0.53) HDAC8HDAC6HDAC1HDAC7HDAC9

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 6 patents. 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
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885MEN1 3532/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885MEN1 3795/4885

“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.