SCHEMBL5458426

SCHEMBL5458426

COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.64
SENP7 Q9BQF6 2/20 0.64
ESR2 Q92731 1/20 0.53
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 6/20 0.51
TP53 P04637 2/20 0.51
SENP6 Q9GZR1 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47

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
SCHEMBL1188142 0.90 CASP3 (0.51) CASP3SENP7ESR2MEN1KMT2A
SCHEMBL1190414 0.90 ESR2 (0.52) CASP3SENP7ESR2MEN1KMT2A
SCHEMBL5460878 0.89 NPC1 (0.62) CASP3SENP7ESR2MEN1KMT2A
SCHEMBL5460595 0.88 CASP3 (0.70) CASP3SENP7MEN1KMT2AMAPT
SCHEMBL1187860 0.87 ESR2 (0.62) ESR2MEN1KMT2AALDH1A1RAB9A
SCHEMBL1188304 0.84 ESR2 (0.58) CASP3SENP7ESR2MAPK1RAB9A
SCHEMBL1188327 0.84 ESR2 (0.55) ESR2MAPTALDH1A1RAB9ANPC1
SCHEMBL1188497 0.83 ESR2 (0.60) CASP3SENP7ESR2MAPTALDH1A1
SCHEMBL1189512 0.83 RAB9A (0.59) CASP3SENP7ESR2SENP6RAB9A
SCHEMBL5467142 0.82 ESR2 (0.58) CASP3SENP7ESR2KMT2AMAPT

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 CASP3 2465/4885SENP7 1816/4885ESR2 3787/4885

“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.