SCHEMBL5470907

SCHEMBL5470907

CCC(C)c1ccc(NC(=O)Nc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 4/20 0.54
NPSR1 Q6W5P4 3/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
KCNQ2 O43526 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RY1 P47900 1/20 0.44

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
SCHEMBL5458305 0.87 ALDH1A1 (0.57) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL20883730 0.85 ADRB1 (0.55) ALDH1A1LMNA
SCHEMBL5462090 0.84 KMT2A (0.56) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL5453420 0.84 P2RY1 (0.51) RAB9ANPC1NPSR1TSHRALDH1A1
SCHEMBL5458464 0.82 MAPT (0.56) KMT2ARAB9AMEN1NPC1NPSR1
Hydrochloric Acid SCHEMBL23246043 0.80 NPC1 (0.70) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL5081479 0.79 NPY2R (0.57) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL5462780 0.79 MAPT (0.62) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL5463400 0.78 NAMPT (0.57) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL13853439 0.78 MAPT (0.51) KMT2ARAB9AMEN1NPC1NPSR1

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 KMT2A 1350/4885RAB9A 1528/4885MEN1 1828/4885

“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.