SCHEMBL2318895

SCHEMBL2318895

CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(Br)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
USP30 Q70CQ3 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL2319049 0.87 EPHX2 (0.47) KMT2ARAB9ANPC1MEN1GAA
SCHEMBL2318170 0.81 ALDH1A1 (0.55) KMT2ARAB9ANPC1MEN1TSHR
SCHEMBL2320548 0.80 NPY5R (0.49) RORCLMNAUSP30CYP11B2
SCHEMBL2318660 0.72 NPY5R (0.52) USP30
SCHEMBL2321999 0.72 USP30 (0.50) KMT2AMEN1TSHRUSP30ALDH1A1
SCHEMBL21207043 0.71 USP30 (0.47) KMT2ARAB9ANPC1LMNAUSP30
SCHEMBL22716934 0.71 NPSR1 (0.53) KMT2AMEN1TSHRNPSR1LMNA
SCHEMBL29480699 0.71 NPSR1 (0.53) KMT2AMEN1TSHRNPSR1LMNA
SCHEMBL2318008 0.70 RAB9A (0.51) RAB9ANPC1TSHRLMNAUSP30
SCHEMBL2417326 0.69 EPHX2 (0.44) RORCLMNAUSP30L3MBTL1EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272120-A Biologically active amides 2011-12-07 CN disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO 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 (1 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R RORC 1044/4885KMT2A 3489/4885RAB9A 3184/4885

“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.