SCHEMBL5458429

SCHEMBL5458429

COc1cc(NC(=O)Nc2ccc(C3=CCN(C(=O)O)CC3)cc2)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
NAMPT P43490 9/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
ALOX15 P16050 2/20 0.49
HPGD P15428 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TSHR P16473 1/20 0.48
QDPR P09417 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 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
SCHEMBL5473484 0.86 NAMPT (0.62) TDP1NAMPTALDH1A1
SCHEMBL5466920 0.84 RAB9A (0.56) NAMPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5460061 0.82 MAPT (0.60) NAMPTALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL14562979 0.81 QDPR (0.53) TDP1NAMPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5549910 0.81 NPC1 (0.50) TDP1NAMPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5452210 0.80 RAB9A (0.55) NAMPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22324918 0.79 SMN1; SMN2 (0.58) NAMPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5469430 0.77 NAMPT (0.47) TDP1NAMPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5465649 0.76 KMT2A (0.60) NAMPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5452223 0.76 TMPRSS2 (0.55) NAMPTNPC1RAB9AMAPTCASP3

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 TDP1 4071/4885NAMPT 324/4885ALDH1A1 731/4885

“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.