SCHEMBL2600328

SCHEMBL2600328

CC(C)n1c(=O)oc2cc(NC(=O)N(C)C3CCNCC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.37
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.37
HTR4 Q13639 4/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 2/20 0.36

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 0.86 MAPT (0.46) ALDH1A1CCR5NPY5R
SCHEMBL2600348 0.85 NPY5R (0.43) ALDH1A1SMN1; SMN2RAB9ACCR5NPY5R
SCHEMBL2600333 0.85 NPY5R (0.54) NPY5R
SCHEMBL2600330 0.85 NPY5R (0.45) ALDH1A1SMN1; SMN2CCR5POLBKMT2A
SCHEMBL2600308 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EATMRAB9A
SCHEMBL2600351 0.84 RAB9A (0.39) ALDH1A1SMN1; SMN2KDM4ERAB9ACCR5
SCHEMBL2600331 0.84 NPY5R (0.44) ALDH1A1SMN1; SMN2CCR5POLBKMT2A
SCHEMBL2600329 0.84 NPY5R (0.44) ALDH1A1SMN1; SMN2CCR5POLBKMT2A
SCHEMBL2600353 0.83 ABL1 (0.40) ATMRAB9ACCR5POLB
SCHEMBL2600349 0.83 ABL1 (0.40) ATMRAB9ACCR5POLBKMT2A

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 4384/4885SMN1; SMN2 3305/4885KDM4E 2072/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R ALDH1A1 4390/4885SMN1; SMN2 3391/4885KDM4E 2024/4885

“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.