SCHEMBL2230684

SCHEMBL2230684

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5cc(C)ccn45)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.40
THRB P10828 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 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
SCHEMBL1647296 0.93 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1647618 0.93 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1647616 0.91 MAPT (0.51) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1644569 0.89 MAPT (0.43) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2231012 0.89 MAPT (0.45) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2229577 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2231057 0.87 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1645045 0.87 MAPT (0.43) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2230725 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL30235338 0.86 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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 9 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
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 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.