Sugi Predict

Sugi Predict / Compounds / SCHEMBL2230930

SCHEMBL2230930

SCHEMBL2230930

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5cccc(C)n45)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL1645419 0.92 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHTTDRD4
SCHEMBL1647640 0.88 MAPT (0.40) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL1647296 0.87 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTDRD4
SCHEMBL1993111 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTDRD4
SCHEMBL30235338 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTDRD4
SCHEMBL2231973 0.86 MAPT (0.41) ALDH1A1MAPTLMNAHTTDRD3
SCHEMBL2229185 0.86 MAPT (0.39) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL2230684 0.86 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTDRD4
SCHEMBL1647616 0.85 MAPT (0.51) ALDH1A1MAPTLMNAHTTDRD4
SCHEMBL1644569 0.85 MAPT (0.43) ALDH1A1MAPTLMNAHTTDRD4

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
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
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 — — CN disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 — — US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 — — CN disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 — — CN disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 — — 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 (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 ALDH1A1 2813/4885MAPT 1771/4885LMNA 3870/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885MAPT 2950/4885LMNA 1805/4885

“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.