SCHEMBL2600307

SCHEMBL2600307

CCS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.41
NAMPT P43490 1/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 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
SCHEMBL2600315 0.91 NPY5R (0.45) NPY5RSMN1; SMN2KDM4EKMT2ANAMPT
SCHEMBL2600313 0.84 ALDH1A1 (0.46) NPY5RSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL2600311 0.82 NPY5R (0.43) NPY5RALDH1A1KDM4EMAPTLMNA
SCHEMBL2600316 0.81 NPY5R (0.43) NPY5RALDH1A1KDM4EMAPTLMNA
SCHEMBL2600317 0.80 NPY5R (0.41) NPY5RALDH1A1MAPTLMNAHPGD
SCHEMBL2600347 0.76 UBE2M (0.45) NPY5RSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2600321 0.73 EPHX2 (0.56) SMN1; SMN2ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL2600333 0.73 NPY5R (0.54) NPY5R
SCHEMBL2600320 0.72 SMN1; SMN2 (0.52) NPY5RSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL2600329 0.72 NPY5R (0.44) NPY5RSMN1; SMN2ALDH1A1KMT2AMAPT

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 1/4885SMN1; SMN2 3305/4885ALDH1A1 4384/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R NPY5R 1/4885SMN1; SMN2 3391/4885ALDH1A1 4390/4885

“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.