SCHEMBL1646321

SCHEMBL1646321

Cc1cc([N+](=O)[O-])ccc1OCCCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
CYP3A4 P08684 3/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 2/20 0.51
S1PR4 O95977 2/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
CYP19A1 P11511 3/20 0.43

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
SCHEMBL22381241 0.90 ALDH1A1 (0.58) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL12121522 0.88 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL13478851 0.86 CYP19A1 (0.57) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL22342651 0.85 CYP19A1 (0.60) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4038925 0.83 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL5099839 0.83 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL20006097 0.83 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL30907664 0.83 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8946550 0.82 ALDH1A1 (0.56) MAPTALDH1A1LMNACYP3A4KMT2A
SCHEMBL22171136 0.82 RAB9A (0.51) MAPTALDH1A1LMNASMN1; SMN2HPGD

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
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
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 MAPT 1771/4885ALDH1A1 2813/4885LMNA 3870/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885ALDH1A1 318/4885LMNA 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.