SCHEMBL1644599

SCHEMBL1644599

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPT P10636 1/20 0.54
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CES2 O00748 1/20 0.44
SORT1 Q99523 1/20 0.44

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
SCHEMBL9420569 0.89 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL6304895 0.87 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5864201 0.87 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7856282 0.85 KMT2A (0.59) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL4095909 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL10786974 0.83 MAPT (0.43) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL22123243 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4095907 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11107197 0.83 CES2 (0.52) ALDH1A1TDP1MAPTTP53HTT
SCHEMBL29615489 0.81 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4ALOX15MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079759-A1 NOVEL SINGLE STEP ESTERIFICATION PROCESS OF ALDEHYDES USING A HETEROGENEOUS CATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO disclosed
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 ALDH1A1 2813/4885TDP1 2131/4885CYP3A4 115/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885TDP1 3533/4885CYP3A4 81/4885

“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.