SCHEMBL354358

SCHEMBL354358

COC(=O)c1ccc2c(c1)CCC(NC(=O)c1cccn1C)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SCN4A P35499 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HDAC6 Q9UBN7 4/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
ACHE P22303 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CNR2 P34972 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
SCHEMBL356788 0.88 HDAC6 (0.60) NPC1RAB9ASCN4ASCN3AHDAC6
SCHEMBL354190 0.76 CA1 (0.49) NPC1RAB9AHDAC6HDAC8CA1
SCHEMBL17478386 0.75 CA1 (0.48) HDAC8CA1CA2ACHEMTNR1A
SCHEMBL5656062 0.73 RAB9A (0.85) NPC1RAB9ASCN4ASCN3ASMN1; SMN2
SCHEMBL720436 0.73 HDAC6 (0.78) NPC1RAB9AHDAC6HDAC8HDAC3
SCHEMBL469781 0.71 MTNR1A (0.51) HDAC6HDAC8CA1CA2ACHE
SCHEMBL354927 0.71 MTNR1A (0.52) HDAC6HDAC8CA1CA2ACHE
SCHEMBL353154 0.71 CHRNB2 (0.44) NPC1RAB9ACA1CA2ACHE
SCHEMBL10253259 0.71 MTNR1A (0.51) HDAC6HDAC8CA1CA2ACHE
SCHEMBL354268 0.71 MTNR1A (0.51) HDAC6HDAC8CA1CA2ACHE

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 8 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
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
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 NPC1 2866/4885RAB9A 1801/4885SCN4A 3609/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPC1 2958/4885RAB9A 1003/4885SCN4A 3996/4885

“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.