SCHEMBL5455789

SCHEMBL5455789

COc1cc(C)ccc1NC(=O)Nc1ccc(N2CCN(C(=O)Nc3ncc(F)cc3F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.51
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LCK P06239 2/20 0.45
PDGFRB P09619 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NTRK1 P04629 1/20 0.44
LYN P07948 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
SCHEMBL5473636 0.93 MAPT (0.51) ALKHTR1AHTR1DHTR1BHTR2A
SCHEMBL5460786 0.86 MAPT (0.48) ALKHTR1AHTR1DHTR1BHTR2A
SCHEMBL5459753 0.84 MAPT (0.45) ALKHTR1AHTR1DHTR1BHTR2A
SCHEMBL5467463 0.84 GFER (0.51) MAPTNPC1RAB9ALCKPDGFRB
SCHEMBL5460880 0.83 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5465476 0.82 MAPT (0.49) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5484266 0.82 MAPT (0.58) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5460915 0.82 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5459135 0.81 GLA (0.48) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5460053 0.81 GLA (0.48) ALKMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALK 3756/4885HTR1A 2801/4885HTR1D 2963/4885

“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.