Sugi Predict

Sugi Predict / Compounds / SCHEMBL1727196

SCHEMBL1727196

SCHEMBL1727196

CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4cc(C(=O)O)ccc4[nH]3)c2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ GSK3B P49841 5/20 0.34
▸ PTGES O14684 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKACA P17612 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
SCHEMBL1726361 0.92 ALDH1A1 (0.39) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL3106173 0.90 HPGD (0.39) L3MBTL1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3094514 0.90 HTT (0.42) POLBALDH1A1MAPTPTGESHPGD
SCHEMBL13190116 0.87 MAPT (0.39) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL13190114 0.86 PTGES (0.39) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL9939775 0.85 DRD2 (0.40) PTGESRET
SCHEMBL13189731 0.85 MALT1 (0.38) POLBMAOBMEN1KMT2AALDH1A1
SCHEMBL11963667 0.83 HPGD (0.40) MEN1KMT2AALDH1A1MAPTGSK3B
SCHEMBL13190105 0.82 PTGES (0.40) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL9939849 0.81 DRD2 (0.42) —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 — — US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 — — US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 — — EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 — — US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 — — WO 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX POLB 2998/4885AKR1C3 283/4885MAOB 1758/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX POLB 2998/4885AKR1C3 283/4885MAOB 1758/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX POLB 2998/4885AKR1C3 283/4885MAOB 1758/4885

“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.