SCHEMBL1647583

SCHEMBL1647583

Cc1cc([N+](=O)[O-])ccc1OCCCn1ccnc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
NOS1 P29475 1/20 0.41
S1PR4 O95977 2/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 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
SCHEMBL1647551 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTKDM4ECYP2D6
SCHEMBL22381241 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTCYP2D6CYP2C19
SCHEMBL12121522 0.73 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL1646321 0.73 MAPT (0.52) ALDH1A1SMN1; SMN2HTTCYP2D6CYP2C19
SCHEMBL1646872 0.73 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR
SCHEMBL14260331 0.73 MCHR1 (0.47) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL13478851 0.72 CYP19A1 (0.57) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL22342651 0.71 CYP19A1 (0.60) ALDH1A1SMN1; SMN2KDM4ECYP2D6CYP2C19
SCHEMBL5866590 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCYP2D6CYP2C19
SCHEMBL26039004 0.70 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2CYP2D6CYP2C19TSHR

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 6 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

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 2813/4885SMN1; SMN2 3682/4885HTT 1809/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885SMN1; SMN2 3079/4885HTT 3347/4885

“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.