SCHEMBL785803

SCHEMBL785803

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)Nc1cccc(Cl)c1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
F10 P00742 7/20 0.41
SLC2A1 P11166 1/20 0.40
NPY5R Q15761 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
HTT P42858 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 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
SCHEMBL785210 0.90 USP30 (0.44) USP30F10NPY5RMEN1KMT2A
SCHEMBL785808 0.89 F10 (0.39) USP30F10NPY5RJAK2JAK1
SCHEMBL785223 0.88 F10 (0.43) USP30F10NPY5RMEN1KMT2A
SCHEMBL784116 0.87 F10 (0.37) F10NPY5RMEN1KMT2AJAK2
SCHEMBL785441 0.87 LCK (0.38) USP30F10RAB9AJAK2JAK1
SCHEMBL785738 0.84 ALDH1A1 (0.45) F10SLC2A1NPY5RMEN1KMT2A
SCHEMBL784125 0.83 F10 (0.41) USP30F10NPY5RRAB9AJAK2
SCHEMBL784877 0.82 F10 (0.45) USP30F10
SCHEMBL785627 0.82 MCHR1 (0.41) F10JAK2JAK1
SCHEMBL785496 0.82 F10 (0.39) USP30F10

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 USP30 4164/4885F10 524/4885SLC2A1 3842/4885

“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.