SCHEMBL2600311

SCHEMBL2600311

CC(C)n1c(=O)oc2cc(NC(=O)N3CCC(NS(C)(=O)=O)CC3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
REV1 Q9UBZ9 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2600316 0.91 NPY5R (0.43) NPY5RALDH1A1LMNAMAPTREV1
SCHEMBL2600313 0.91 ALDH1A1 (0.46) NPY5RALDH1A1MAPTREV1TP53
SCHEMBL2600317 0.90 NPY5R (0.41) NPY5RALDH1A1LMNAMAPTREV1
SCHEMBL2600307 0.82 NPY5R (0.46) NPY5RALDH1A1LMNAMAPTHPGD
SCHEMBL2600315 0.81 NPY5R (0.45) NPY5RKDM4E
SCHEMBL2600320 0.79 SMN1; SMN2 (0.52) NPY5RALDH1A1LMNAMAPTREV1
SCHEMBL2601694 0.77 NPY5R (0.41) NPY5RALDH1A1LMNAMAPTHPGD
SCHEMBL2600321 0.76 EPHX2 (0.56) ALDH1A1
SCHEMBL2601692 0.76 TP53 (0.40) ALDH1A1MAPTTP53KDM4E
SCHEMBL2601907 0.76 ALDH1A1 (0.40) ALDH1A1LMNAMAPTHPGDTSHR

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 NPY5R 1/4885ALDH1A1 4384/4885LMNA 4398/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R NPY5R 1/4885ALDH1A1 4390/4885LMNA 4423/4885

“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.