SCHEMBL1646112

SCHEMBL1646112

CCn1ccnc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NOS1 P29475 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CCR3 P51677 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CYP19A1 P11511 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7905618 0.87 KMT2A (0.47) POLBNOS1ALDH1A1KMT2AMEN1
SCHEMBL3182549 0.80 HTT (0.54) POLBNOS1ALDH1A1KMT2AMEN1
SCHEMBL1648730 0.77 CYP3A4 (0.42) POLBALDH1A1KMT2AMEN1CYP19A1
SCHEMBL12603635 0.77 RAB9A (0.47) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL3144655 0.77 NOS1 (0.52) NOS1ALDH1A1CCR3KMT2AMEN1
SCHEMBL4829087 0.74 HTT (0.60) POLBNOS1ALDH1A1KMT2AMEN1
SCHEMBL19468191 0.74 POLB (0.47) POLBNOS1ALDH1A1KMT2AMEN1
SCHEMBL7016549 0.74 NOS1 (0.63) POLBNOS1ALDH1A1KMT2AMEN1
Nitric Acid SCHEMBL16699994 0.72 ALPG (0.43) NOS1ALDH1A1KMT2AMAPTHTT
SCHEMBL5656670 0.72 MAPT (0.50) POLBNOS1ALDH1A1KMT2AMEN1

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 POLB 4825/4885NOS1 365/4885ALDH1A1 2813/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 POLB 4855/4885NOS1 335/4885ALDH1A1 318/4885

“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.