SCHEMBL216448

SCHEMBL216448

CCN(CC)CCCNC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 10/20 0.47
TERT O14746 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
APEX1 P27695 1/20 0.47
EPHX1 P07099 2/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.46
KLK7 P49862 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 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
SCHEMBL19012214 0.91 MAPT (0.47) ALDH1A1HTTMAPTTERTKMT2A
SCHEMBL12136712 0.84 EPHX1 (0.65) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL16938841 0.83 ALDH1A1 (0.60) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL23786265 0.79 KDM4E (0.46) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL11794892 0.79 MCHR1 (0.60) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL14050284 0.78 MAPT (0.49) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL16359723 0.77 RXFP1 (0.45) ALDH1A1HTTMAPTTERTKMT2A
SCHEMBL491614 0.75 EPHX1 (0.66) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL13918437 0.75 HDAC3 (0.44) ALDH1A1HTTMAPTKMT2AKDM4E
SCHEMBL12855856 0.75 HDAC3 (0.44) ALDH1A1HTTMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US claimed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US claimed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US claimed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US claimed
EP-2058305-A1 UREA DERIVATIVE Shionogi Co., Ltd. (JP) 2009-05-13 EP claimed
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US disclosed
EP-2058305-A1 UREA DERIVATIVE Shionogi Co., Ltd. (JP) 2009-05-13 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 (2 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-20120095231-A1 UREA DERIVATIVE NPY5R, NPY1R, NPY2R ALDH1A1 4384/4885HTT 2029/4885MAPT 2307/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R ALDH1A1 4390/4885HTT 2033/4885MAPT 2336/4885

“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.