SCHEMBL2600327

SCHEMBL2600327

CC(C)n1c(=O)oc2cc(NC(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
GPR119 Q8TDV5 2/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL2600343 0.87 MAPT (0.46) ALDH1A1HTTMAPTL3MBTL1LMNA
SCHEMBL2600348 0.87 NPY5R (0.43) USP30ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL2600345 0.86 CCR5 (0.39) ALDH1A1MAPTSMN1; SMN2ABL1RIN1
SCHEMBL2600339 0.85 CCR5 (0.36) USP30ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL2600349 0.84 ABL1 (0.40) RAB9AHTTABL1RIN1
SCHEMBL2600353 0.84 ABL1 (0.40) RAB9AHTTPTPN1ABL1RIN1
SCHEMBL2600358 0.83 SMN1; SMN2 (0.39) ALDH1A1HTTMAPTUSP2LMNA
SCHEMBL2600344 0.83 NPY5R (0.43) ALDH1A1RAB9AHTTMAPTSMN1; SMN2
SCHEMBL2600346 0.83 NPY5R (0.43) ALDH1A1HTTUSP2LMNAHPGD
SCHEMBL2600337 0.83 NPY5R (0.37) ALDH1A1MAPTSMN1; SMN2

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 USP30 1076/4885ALDH1A1 4384/4885NPC1 3781/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R USP30 1071/4885ALDH1A1 4390/4885NPC1 3868/4885

“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.