Sugi Predict

Sugi Predict / Compounds / SCHEMBL1646589

SCHEMBL1646589

SCHEMBL1646589

Cc1cc(C)nc(OCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4cc(C)ccn34)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 7/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CFTR P13569 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LTB4R Q15722 1/20 0.33
▸ CGAS Q8N884 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL2231172 0.91 LMNA (0.43) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1646624 0.89 SMN1; SMN2 (0.41) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1644968 0.87 SMN1; SMN2 (0.44) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL2232230 0.87 LMNA (0.39) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1645448 0.86 LMNA (0.39) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1987586 0.86 HCRTR2 (0.40) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL1646302 0.85 HCRTR1 (0.38) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1645530 0.84 LMNA (0.42) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1645531 0.84 LMNA (0.44) LMNASMN1; SMN2HTTTHRBL3MBTL1
SCHEMBL1646398 0.84 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTTHRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 — — EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 — — US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 — — US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 — — EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 — — US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 — — 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 LMNA 3870/4885SMN1; SMN2 3682/4885HTT 1809/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 LMNA 1805/4885SMN1; SMN2 3079/4885HTT 3347/4885

“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.