SCHEMBL1646497

SCHEMBL1646497

OCCNc1cccc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
GAA P10253 8/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
AGTR1 P30556 1/20 0.51
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.44
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CCNT1 O60563 1/20 0.41

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
SCHEMBL19893530 0.79 ALDH1A1 (0.54) ALDH1A1GAAMAPTHPGDAGTR1
Hydrochloric Acid SCHEMBL29258482 0.78 ALDH1A1 (0.45) ALDH1A1GAAMAPTHPGDAGTR1
SCHEMBL29971364 0.78 CYP1A2 (0.48) ALDH1A1GAAMAPTHPGDAGTR1
SCHEMBL1099121 0.77 KDM4E (0.46) ALDH1A1GAAMAPTCYP2C19CYP2D6
SCHEMBL22864667 0.77 MEN1 (0.49) ALDH1A1GAAMAPTCYP2C19CYP2D6
SCHEMBL29651192 0.77 MEN1 (0.49) ALDH1A1GAAMAPTCYP2C19CYP2D6
SCHEMBL17840921 0.77 KDM4E (0.46) ALDH1A1GAAHPGDCYP2C19CYP2D6
SCHEMBL1631859 0.77 NPSR1 (0.54) ALDH1A1GAAHPGDKDM4EPOLB
SCHEMBL1631857 0.77 KDM4E (0.46) ALDH1A1GAAHPGDCYP2C19CYP2D6
SCHEMBL11446725 0.77 CYP2C19 (0.56) ALDH1A1GAAMAPTHPGDAGTR1

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
CN-102861610-B Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2014-05-07 CN 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-102861610-A Hyperbranched amido pyridine contained catalyst, preparation methods of catalyst and application of catalyst NINGBO CHANGYANG TECHNOLOGY CO 2013-01-09 CN 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
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 2813/4885GAA 1536/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885GAA 228/4885MAPT 2950/4885

“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.