SCHEMBL2600308

SCHEMBL2600308

CCS(=O)(=O)N(C)C1CCC(N(C)C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPY5R Q15761 1/20 0.36
CCR5 P51681 2/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2600330 0.88 NPY5R (0.45) ALDH1A1SMN1; SMN2KMT2ANPY5RCCR5
SCHEMBL2600347 0.85 UBE2M (0.45) ALDH1A1SMN1; SMN2KMT2ANPY5RCCR5
SCHEMBL2600333 0.84 NPY5R (0.54) NPY5R
SCHEMBL2600346 0.84 NPY5R (0.43) ALDH1A1SMN1; SMN2NPY5RCCR5HTT
SCHEMBL2600328 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AKDM4ENPY5R
SCHEMBL2600329 0.84 NPY5R (0.44) ALDH1A1SMN1; SMN2KMT2ANPY5RCCR5
SCHEMBL2600331 0.84 NPY5R (0.44) ALDH1A1SMN1; SMN2KMT2ANPY5RCCR5
SCHEMBL2600350 0.82 CDYL (0.39) ALDH1A1SMN1; SMN2NPY5RCCR5
SCHEMBL2600343 0.82 MAPT (0.46) ALDH1A1NPY5RCCR5HTT
SCHEMBL2600344 0.82 NPY5R (0.43) ALDH1A1SMN1; SMN2KMT2ANPY5RCCR5

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 ALDH1A1 4384/4885SMN1; SMN2 3305/4885KMT2A 3557/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R ALDH1A1 4390/4885SMN1; SMN2 3391/4885KMT2A 3489/4885

“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.