SCHEMBL2600342

SCHEMBL2600342

CCn1c(=O)oc2cc(NC(=O)N(C)C3CCN(S(=O)(=O)C(C)(C)C)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.44
HTT P42858 3/20 0.44
ALOX12 P18054 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
POLB P06746 5/20 0.44
MAPT P10636 5/20 0.44
TP53 P04637 3/20 0.44
NPY5R Q15761 1/20 0.44
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL2600340 0.91 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600332 0.91 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600335 0.90 NPY5R (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600334 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600344 0.87 NPY5R (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600330 0.80 NPY5R (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600336 0.80 MAPT (0.49) SMN1; SMN2KMT2AMEN1POLBMAPT
SCHEMBL2600338 0.78 MAPT (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL2600329 0.78 NPY5R (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2600341 0.76 MAPT (0.47) SMN1; SMN2KMT2AMEN1POLBMAPT

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