SCHEMBL2600313

SCHEMBL2600313

CCS(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPY5R Q15761 3/20 0.42
REV1 Q9UBZ9 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 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
SCHEMBL2600311 0.91 NPY5R (0.43) ALDH1A1NPY5RREV1TP53MAPT
SCHEMBL2600316 0.90 NPY5R (0.43) ALDH1A1NPY5RREV1TP53MAPT
SCHEMBL2600317 0.88 NPY5R (0.41) ALDH1A1NPY5RREV1TP53MAPT
SCHEMBL2601692 0.86 TP53 (0.40) ALDH1A1TP53SMN1; SMN2MAPTKDM4E
SCHEMBL2600307 0.84 NPY5R (0.46) ALDH1A1NPY5RSMN1; SMN2MAPTKDM4E
SCHEMBL11936169 0.81 ALDH1A1 (0.39) ALDH1A1NPY5RTP53MAPT
SCHEMBL2600320 0.81 SMN1; SMN2 (0.52) ALDH1A1NPY5RREV1TP53SMN1; SMN2
SCHEMBL2600315 0.80 NPY5R (0.45) NPY5RSMN1; SMN2KDM4E
SCHEMBL2600312 0.77 SMN1; SMN2 (0.52) ALDH1A1NPY5RREV1TP53SMN1; SMN2
SCHEMBL2601694 0.76 NPY5R (0.41) ALDH1A1NPY5RTP53SMN1; SMN2MAPT

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 4384/4885NPY5R 1/4885REV1 4502/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R ALDH1A1 4390/4885NPY5R 1/4885REV1 4490/4885

“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.