Sugi Predict

Sugi Predict / Compounds / SCHEMBL2231973

SCHEMBL2231973

SCHEMBL2231973

Cc1cccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5cccc(C)n45)cc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ TGM3 Q08188 1/20 0.40
▸ CNR1 P21554 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ CHRNA10 Q9GZZ6 2/20 0.37
▸ CHRNA9 Q9UGM1 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HTR1A P08908 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
SCHEMBL1647640 0.92 MAPT (0.40) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1645419 0.90 ALDH1A1 (0.45) MAPTLMNAALDH1A1HTTDRD3
SCHEMBL2229185 0.89 MAPT (0.39) MAPTLMNAALDH1A1HTTCNR1
SCHEMBL1646057 0.88 ALDH1A1 (0.54) MAPTLMNAALDH1A1HTTHCRTR1
SCHEMBL1991472 0.88 KCNH2 (0.44) MAPTLMNAALDH1A1HCRTR1HCRTR2
SCHEMBL30235095 0.88 KCNH2 (0.44) MAPTLMNAALDH1A1HCRTR1HCRTR2
SCHEMBL2230930 0.86 ALDH1A1 (0.40) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1646860 0.86 ALDH1A1 (0.52) MAPTLMNAALDH1A1HTTHCRTR1
SCHEMBL2229577 0.85 ALDH1A1 (0.45) MAPTLMNAALDH1A1HTTHCRTR1
SCHEMBL2232509 0.85 MAPT (0.43) MAPTLMNAALDH1A1HTTHCRTR1

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 MAPT 1771/4885LMNA 3870/4885ALDH1A1 2813/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885LMNA 1805/4885ALDH1A1 318/4885

“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.