SCHEMBL1645549

SCHEMBL1645549

Cc1cc(C)nc(N(C)CCCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.44
KCNH2 Q12809 4/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CDC25C P30307 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A2 O15244 1/20 0.39
ADRB1 P08588 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39

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
SCHEMBL943658 0.89 MAPT (0.57) MAPTPKMCRHBPCRHR2CDC25C
SCHEMBL942774 0.86 MAPT (0.52) MAPTPKMCRHBPCRHR2CDC25C
SCHEMBL1126484 0.81 NOS1 (0.40)
SCHEMBL1993805 0.80 MAPT (0.45) MAPTL3MBTL1HTT
SCHEMBL1645594 0.80 KCNH2 (0.51) MAPTKCNH2HTT
SCHEMBL1647423 0.77 MAPT (0.42) MAPTL3MBTL1NPSR1HTTTSHR
SCHEMBL942649 0.74 MAPT (0.45) MAPTCRHBPCRHR2CDC25CL3MBTL1
SCHEMBL1645589 0.74 MAPT (0.46) MAPTL3MBTL1HTTTSHR
SCHEMBL1646716 0.74 MAPT (0.40) MAPTL3MBTL1HTTTSHR
SCHEMBL11132823 0.74 KCNH2 (0.57) MAPTKCNH2CRHBPCRHR2CDC25C

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 8 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
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 MAPT 1771/4885PKM 2341/4885KCNH2 943/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885PKM 2967/4885KCNH2 357/4885

“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.