SCHEMBL785876

SCHEMBL785876

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3c(Cl)cccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
LCK P06239 3/20 0.36
GHSR Q92847 2/20 0.35
NPY5R Q15761 1/20 0.35
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APOBEC3A P31941 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SPR P35270 1/20 0.34

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
SCHEMBL785369 0.92 F10 (0.38) F10TLR9TLR8TLR7JAK2
SCHEMBL785958 0.91 F10 (0.38) F10TLR9TLR8TLR7JAK2
SCHEMBL785808 0.90 F10 (0.39) F10JAK2JAK1LCKNPY5R
SCHEMBL785210 0.89 USP30 (0.44) F10TLR9TLR8TLR7JAK2
SCHEMBL785323 0.88 F10 (0.38) F10TLR9TLR8TLR7JAK2
SCHEMBL784125 0.88 F10 (0.41) F10TLR9TLR8TLR7JAK2
SCHEMBL785474 0.88 NPC1 (0.46) F10TLR9TLR8TLR7JAK2
SCHEMBL784619 0.88 F10 (0.43) F10TLR9TLR8TLR7JAK2
SCHEMBL784725 0.87 F10 (0.40) F10TLR9TLR8TLR7JAK2
SCHEMBL785276 0.86 F10 (0.39) F10TLR9TLR8TLR7JAK2

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 3 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-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 F10 524/4885TLR9 1200/4885TLR8 1055/4885

“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.