SCHEMBL13625101

SCHEMBL13625101

CCOc1ccc(C(=O)N[C@H]2CCCCC2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TP53 P04637 2/20 0.55
PLK1 P53350 1/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
OPRK1 P41145 1/20 0.48

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
SCHEMBL4298336 1.00 ALDH1A1 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4294360 1.00 ALDH1A1 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4294363 1.00 ALDH1A1 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4294365 1.00 ALDH1A1 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4298333 1.00 ALDH1A1 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4563958 0.80 HDAC4 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4564140 0.80 HDAC4 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL4563957 0.80 HDAC4 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL13611522 0.80 HDAC4 (0.55) ALDH1A1TP53PLK1MAPTMEN1
SCHEMBL13625100 0.80 HDAC4 (0.55) ALDH1A1TP53PLK1MAPTMEN1

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-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 ALDH1A1 231/4885TP53 2704/4885PLK1 4082/4885

“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.