SCHEMBL1644880

SCHEMBL1644880

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C(C)C)cc5ccccn45)c(C)c3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.36
GBA1 P04062 1/20 0.35
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PSMD14 O00487 1/20 0.33
USP2 O75604 1/20 0.33
MMP2 P08253 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SLC27A1 Q6PCB7 1/20 0.33
MAPK1 P28482 3/20 0.33
NPC1 O15118 2/20 0.33
IGF1R P08069 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
SCHEMBL1646393 0.89 MAPT (0.39) PHGDHRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1645640 0.87 THRB (0.46) PHGDHRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2231087 0.87 MAPT (0.38) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL2230704 0.86 PSMD14 (0.34) PHGDHRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2231943 0.85 SMN1; SMN2 (0.34) PHGDHRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2232458 0.85 THRB (0.44) GBA1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1646734 0.84 MAPT (0.39) GBA1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1645392 0.84 PIK3CD (0.37) GBA1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL2230688 0.80 F13A1 (0.40) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL27836752 0.80 PHGDH (0.38) PHGDHRAB9ASMN1; SMN2KDM4EALDH1A1

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 11 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
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP 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
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO 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 PHGDH 3557/4885GBA1 620/4885RAB9A 2410/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 PHGDH 3050/4885GBA1 63/4885RAB9A 2787/4885

“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.