Sugi Predict

Sugi Predict / Compounds / SCHEMBL784222

SCHEMBL784222

SCHEMBL784222

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3C(F)(F)F)CC4)CC2)nc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.42
▸ GBA1 P04062 1/20 0.40
▸ TAF1 P21675 1/20 0.39
▸ CECR2 Q9BXF3 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ RBP4 P02753 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SPR P35270 1/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL785428 0.93 WDR5 (0.40) WDR5GBA1TAF1CECR2BRD9
SCHEMBL785424 0.91 TAF1 (0.40) WDR5GBA1TAF1CECR2BRD9
SCHEMBL784251 0.91 TAF1 (0.41) WDR5GBA1TAF1CECR2BRD9
SCHEMBL27902573 0.90 WDR5 (0.43) WDR5EPHX2RBP4ALDH1A1SPR
SCHEMBL784161 0.90 ALDH1A1 (0.41) WDR5GBA1TAF1CECR2BRD9
SCHEMBL785506 0.89 TAF1 (0.38) WDR5TAF1CECR2BRD9RBP4
SCHEMBL785520 0.87 WDR5 (0.39) WDR5TAF1CECR2BRD9ALDH1A1
SCHEMBL785045 0.86 CRHR1 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL785617 0.85 WDR5 (0.41) WDR5TAF1CECR2BRD9SPR
SCHEMBL784824 0.85 WDR5 (0.40) WDR5TAF1CECR2BRD9SPR

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 10 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 — — CN 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 — — CN 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 2611/4885GBA1 849/4885TAF1 2144/4885

“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.