SCHEMBL3544478

SCHEMBL3544478

CCC(=O)N1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.72
RECQL P46063 1/20 0.72
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 5/20 0.61
GPR174 Q9BXC1 2/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 6/20 0.57
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL5039739 0.81 LMNA (0.59) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL4434853 0.80 MAPT (0.60) MAPTRECQLKMT2ALMNAGPR174
SCHEMBL16255716 0.80 TSHR (0.72) MAPTRECQLKMT2AMEN1TSHR
SCHEMBL5319286 0.79 SMN1; SMN2 (0.71) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL13419271 0.79 KMT2A (0.70) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL3436164 0.79 LMNA (0.54) MAPTKMT2AMEN1LMNAGAA
SCHEMBL20708692 0.78 KMT2A (1.00) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL3485157 0.78 GAA (0.69) MAPTKMT2AMEN1LMNAGAA
SCHEMBL3216259 0.76 LMNA (0.64) MAPTRECQLKMT2AMEN1LMNA
SCHEMBL22621274 0.76 GPR174 (1.00) MAPTRECQLLMNAGPR174GAA

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-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 US disclosed
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION 2004-12-23 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-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions MMP9, MMP25, HDAC5 MAPT 4523/4885RECQL 4781/4885KMT2A 485/4885

“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.