SCHEMBL5453420

SCHEMBL5453420

CCC(C)c1ccccc1NC(=O)Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.51
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MT-CO2 P00403 1/20 0.47
KCNQ2 O43526 1/20 0.47
HTR6 P50406 1/20 0.46
SHMT2 P34897 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5460004 0.86 NPC1 (0.51) MAPTNPC1RAB9AKCNQ2SMN1; SMN2
SCHEMBL5470907 0.84 KMT2A (0.54) P2RY1MAPTNPC1RAB9AKCNQ2
SCHEMBL5464818 0.83 HTT (0.59) P2RY1MAPTNPC1RAB9AMT-CO2
SCHEMBL5455863 0.81 KMT2A (0.62) P2RY1MAPTNPC1RAB9AALDH1A1
SCHEMBL5462034 0.81 NAMPT (0.56) MAPTNPC1RAB9AALDH1A1CTSS
SCHEMBL5460057 0.80 P2RY1 (0.57) P2RY1MAPTNPC1RAB9AMT-CO2
SCHEMBL5451277 0.80 P2RY1 (0.55) P2RY1MAPTNPC1RAB9AMT-CO2
SCHEMBL5459811 0.78 MEN1 (0.60) P2RY1MAPTNPC1RAB9AMT-CO2
SCHEMBL5460707 0.78 MT-CO2 (0.61) P2RY1MAPTNPC1RAB9AMT-CO2
SCHEMBL5465662 0.78 NPC1 (0.59) P2RY1MAPTNPC1RAB9AMT-CO2

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 P2RY1 3474/4885MAPT 758/4885NPC1 1089/4885

“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.