SCHEMBL2619356

SCHEMBL2619356

CCCCc1ccc(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 1/20 0.44
DDX3X O00571 1/20 0.44
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TP53 P04637 1/20 0.43
AR P10275 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL10272562 0.92 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9APAX8
SCHEMBL2611182 0.85 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2NPC1RAB9APAX8
SCHEMBL2611195 0.83 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9APAX8
SCHEMBL10272564 0.83 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12319239 0.80 NPC1 (0.68) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28329345 0.77 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9APAX8
SCHEMBL10727400 0.77 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4550165 0.76 KMT2A (0.47) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19674335 0.76 NPC1 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9APAX8
SCHEMBL8507258 0.76 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9APAX8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 L3MBTL1 2124/4885SMN1; SMN2 848/4885NPC1 3585/4885
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 L3MBTL1 3138/4885SMN1; SMN2 772/4885NPC1 2044/4885

“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.