SCHEMBL1645646

SCHEMBL1645646

CC(C)c1cc([N+](=O)[O-])ccc1C(=O)OCCBr

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7225692 0.80 TDP1 (0.63) PKMSMN1; SMN2TDP1ADRB2ADRB1
SCHEMBL27505124 0.80 ALDH1A1 (0.50) SMN1; SMN2TDP1ALDH1A1MAPTMEN1
SCHEMBL27685054 0.78 SMN1; SMN2 (0.43) PKMSMN1; SMN2TDP1ADRB2ADRB1
SCHEMBL1646872 0.77 SMN1; SMN2 (0.42) PKMSMN1; SMN2TDP1ADRB2ADRB1
SCHEMBL1644599 0.76 ALDH1A1 (0.58) SMN1; SMN2TDP1ALDH1A1MAPTKMT2A
SCHEMBL7856282 0.75 KMT2A (0.59) SMN1; SMN2TDP1ALDH1A1POLBMEN1
SCHEMBL7221510 0.73 ATM (0.65) PKMTDP1ADRB2ADRB1ADRB3
SCHEMBL10786974 0.73 MAPT (0.43) PKMSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL27831042 0.73 MAPT (0.46) PKMSMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL19511669 0.72 PKM (0.44) PKMSMN1; SMN2TDP1ADRB2ADRB1

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 10 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
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 PKM 2341/4885SMN1; SMN2 3682/4885TDP1 2131/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 PKM 2967/4885SMN1; SMN2 3079/4885TDP1 3533/4885

“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.