Sugi Predict

Sugi Predict / Compounds / SCHEMBL1645840

SCHEMBL1645840

SCHEMBL1645840

O=C(Nc1ccc(-c2cocn2)cc1)C(=O)c1c(-c2ccc(Br)cc2)cc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC4 P56524 1/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL1648435 0.92 L3MBTL1 (0.53) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL7990205 0.85 L3MBTL1 (0.59) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1647264 0.85 L3MBTL1 (0.62) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1646417 0.79 THRB (0.50) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1646412 0.77 L3MBTL1 (0.57) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1644750 0.77 L3MBTL1 (0.69) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1645605 0.75 L3MBTL1 (0.63) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1645643 0.75 L3MBTL1 (0.53) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1645230 0.75 THRB (0.53) L3MBTL1THRBMAPTALDH1A1LMNA
SCHEMBL1645601 0.74 ALDH1A1 (0.63) L3MBTL1THRBMAPTALDH1A1LMNA

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 L3MBTL1 4094/4885THRB 3738/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 L3MBTL1 1723/4885THRB 3788/4885MAPT 2950/4885

“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.