SCHEMBL2600338

SCHEMBL2600338

CN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CCN(S(=O)(=O)C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
NPY5R Q15761 1/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL2600336 0.96 MAPT (0.49) MAPTKDM4ETP53POLBHSD17B10
SCHEMBL2600341 0.87 MAPT (0.47) MAPTKDM4ETP53POLBHSD17B10
SCHEMBL2600340 0.85 SMN1; SMN2 (0.53) MAPTKDM4ETP53POLBHSD17B10
SCHEMBL2600329 0.84 NPY5R (0.44) MAPTTP53POLBNPY5RALDH1A1
SCHEMBL2600332 0.79 SMN1; SMN2 (0.54) MAPTKDM4ETP53POLBHSD17B10
SCHEMBL2600335 0.79 NPY5R (0.55) MAPTTP53POLBNPY5RALDH1A1
SCHEMBL2600342 0.78 SMN1; SMN2 (0.51) MAPTKDM4ETP53POLBHSD17B10
SCHEMBL2600330 0.78 NPY5R (0.45) MAPTTP53POLBNPY5RALDH1A1
SCHEMBL2600333 0.78 NPY5R (0.54) NPY5R
SCHEMBL2600344 0.78 NPY5R (0.43) MAPTTP53POLBNPY5RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
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-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-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
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 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 (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 MAPT 2307/4885KDM4E 2072/4885TP53 3688/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R MAPT 2336/4885KDM4E 2024/4885TP53 3658/4885

“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.