Sugi Predict

Sugi Predict / Compounds / SCHEMBL784824

SCHEMBL784824

SCHEMBL784824

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cc(F)ccc3Cl)CC4)CC2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 9/20 0.40
▸ TAF1 P21675 1/20 0.39
▸ CECR2 Q9BXF3 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CNR1 P21554 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
SCHEMBL785617 0.94 WDR5 (0.41) WDR5TAF1CECR2BRD9PDE10A
SCHEMBL785045 0.92 CRHR1 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL784161 0.91 ALDH1A1 (0.41) WDR5TAF1CECR2BRD9MEN1
SCHEMBL784193 0.90 WDR5 (0.41) WDR5PDE10ATLR9TLR8TLR7
SCHEMBL785520 0.88 WDR5 (0.39) WDR5TAF1CECR2BRD9TLR9
SCHEMBL785424 0.88 TAF1 (0.40) WDR5TAF1CECR2BRD9TLR9
SCHEMBL785799 0.87 TAF1 (0.42) TAF1CECR2BRD9HCRTR1HCRTR2
SCHEMBL785505 0.87 TAF1 (0.38) WDR5TAF1CECR2BRD9HCRTR1
SCHEMBL783985 0.87 ALDH1A1 (0.48) WDR5TAF1CECR2BRD9MEN1
SCHEMBL784251 0.86 TAF1 (0.41) WDR5TAF1CECR2BRD9MEN1

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 WDR5 2611/4885TAF1 2144/4885CECR2 888/4885

“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.