Sugi Predict

Sugi Predict / Compounds / SCHEMBL785607

SCHEMBL785607

SCHEMBL785607

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N(C(=O)c3ccccc3Cl)C(C)C)CC4)CC2)nc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 2/20 0.39
▸ CECR2 Q9BXF3 2/20 0.39
▸ BRD9 Q9H8M2 2/20 0.39
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL785004 0.93 GBA1 (0.41) TAF1CECR2BRD9HPGDTSHR
SCHEMBL784120 0.93 TAF1 (0.40) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785207 0.92 TAF1 (0.43) TAF1CECR2BRD9HPGDTSHR
SCHEMBL785120 0.91 TAF1 (0.38) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785629 0.91 TAF1 (0.38) TAF1CECR2BRD9TLR9TLR8
SCHEMBL784412 0.90 TAF1 (0.37) TAF1CECR2BRD9TLR9TLR8
SCHEMBL784483 0.88 TAF1 (0.40) TAF1CECR2BRD9HPGDTSHR
SCHEMBL784896 0.87 TLR9 (0.38) TAF1CECR2BRD9TLR9TLR8
SCHEMBL784869 0.87 TAF1 (0.37) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785537 0.85 F10 (0.39) HPGDTSHRHRH3ADORA2AADORA1

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-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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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 TAF1 2144/4885CECR2 888/4885BRD9 243/4885

“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.