SCHEMBL6570929

SCHEMBL6570929

CC(C)CCNC(=O)c1ccc(C(=O)NO)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
RAB9A P51151 2/20 0.69
NPC1 O15118 1/20 0.69
LMNA P02545 1/20 0.57
HDAC6 Q9UBN7 8/20 0.54
HDAC8 Q9BY41 7/20 0.54
HDAC2 Q92769 4/20 0.54
HTT P42858 1/20 0.52
NAMPT P43490 1/20 0.52
HDAC1 Q13547 3/20 0.51
KCNA5 P22460 1/20 0.50
HPGD P15428 1/20 0.49
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EPHX2 P34913 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
SCHEMBL17887994 0.93 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL18193848 0.88 NPC1 (0.67) SMN1; SMN2RAB9ANPC1LMNAHDAC2
SCHEMBL14297350 0.86 NPC1 (0.69) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL17301589 0.86 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1LMNAHDAC6
SCHEMBL24648929 0.86 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL5943961 0.85 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1LMNAHDAC6
SCHEMBL10099572 0.84 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL10099552 0.84 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL3705474 0.84 RAB9A (0.67) SMN1; SMN2RAB9ANPC1LMNAHDAC6
SCHEMBL496789 0.84 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ANPC1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 SMN1; SMN2 3558/4885RAB9A 3059/4885NPC1 2721/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 SMN1; SMN2 3558/4885RAB9A 3059/4885NPC1 2721/4885

“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.