SCHEMBL2600312

SCHEMBL2600312

CCn1c(=O)oc2cc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.44
REV1 Q9UBZ9 1/20 0.44
MAPT P10636 5/20 0.43
RORC P51449 1/20 0.42
LMNA P02545 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPY5R Q15761 1/20 0.41
HTT P42858 3/20 0.41
ALOX12 P18054 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL2600320 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TP53REV1MAPT
SCHEMBL2600317 0.85 NPY5R (0.41) ALDH1A1TP53REV1MAPTLMNA
SCHEMBL11936158 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TP53MAPTRORC
SCHEMBL10114421 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TP53MAPTLMNA
SCHEMBL2600313 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TP53REV1MAPT
SCHEMBL10115532 0.76 NPC1 (0.57) SMN1; SMN2ALDH1A1TP53MAPTLMNA
SCHEMBL12882019 0.76 MAOB (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL10115573 0.75 CYP3A4 (0.57) SMN1; SMN2TP53MAPTLMNAMEN1
SCHEMBL10115710 0.75 LMNA (0.46) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL2600311 0.75 NPY5R (0.43) ALDH1A1TP53REV1MAPTLMNA

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 SMN1; SMN2 3305/4885ALDH1A1 4384/4885TP53 3688/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R SMN1; SMN2 3391/4885ALDH1A1 4390/4885TP53 3658/4885

“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.