Sugi Predict

Sugi Predict / Compounds / SCHEMBL726035

SCHEMBL726035

SCHEMBL726035

C1=CN[C](N2CCNCC2)N=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.37
▸ PLD1 Q13393 2/20 0.37
▸ NCF1 P14598 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ADRB1 P08588 4/20 0.36
▸ HTR3A P46098 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ HTR1A P08908 2/20 0.34

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
SCHEMBL6055480 0.72 ALDH1A1 (0.39) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL4421143 0.64 ADRB2 (0.40) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL2066449 0.64 ADRB1 (0.38) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL1420015 0.63 ADRB1 (0.36) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL3833595 0.59 ADRB1 (0.39) NCF1KDM4EALDH1A1ADRB1HTR3A
SCHEMBL15834279 0.58 ADRB1 (0.75) NCF1KDM4EALDH1A1ADRB1HTR3A
SCHEMBL15748040 0.57 HRH1 (0.61) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL5570604 0.57 ADRB1 (0.77) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL1229731 0.57 HRH1 (0.85) ADRB2PLD1NCF1KDM4EALDH1A1
SCHEMBL13116668 0.57 HTR2C (0.56) KDM4EALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4694834-B2 — — 2011-06-08 — — JP claimed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 — — EP claimed
US-20060089380-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LTD. (AU) 2006-04-27 — — US claimed
JP-2006504646-A — — 2006-02-09 — — JP claimed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 — — EP claimed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 — — WO claimed
US-9302993-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2016-04-05 — — US disclosed
US-20150335635-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-11-26 — — US disclosed
US-9169211-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-10-27 — — US disclosed
US-9163018-B2 Method of treatment of age-related macular degeneration (AMD) PRANA BIOTECHNOLOGY INC. (AU) 2015-10-20 — — US disclosed
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-04-02 — — US disclosed
US-8975278-B2 8-hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LIMITED (AU) 2015-03-10 — — US disclosed
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2015-01-22 — — US disclosed
WO-2007118276-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION(AMD) PRANA BIOTECHNOLOGY LTD (AU) 2007-10-25 — — WO disclosed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 — — EP disclosed
US-20060089380-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LTD. (AU) 2006-04-27 — — US disclosed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 — — EP disclosed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 — — WO disclosed
US-20020128231-A1 Aryl-indane compounds EASTMAN CHEMICAL COMPANY 2002-09-12 — — US disclosed
WO-2002030915-A2 ARYL-INDANE COMPOUNDS FOR USE AS INHIBITORS OF P-GLYCOPROTEIN MEDIATED TRANSPORT AVLAN LIMITED (GB) 2002-04-18 — — 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 (5 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-20150335635-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN ADRB2 738/4885PLD1 4603/4885NCF1 2693/4885
US-20020128231-A1 Aryl-indane compounds ABCB1, ABCC1, ABCG2 ADRB2 2174/4885PLD1 1886/4885NCF1 755/4885
US-20150025108-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN ADRB2 738/4885PLD1 4603/4885NCF1 2693/4885
US-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA ADRB2 1454/4885PLD1 4405/4885NCF1 1995/4885
US-20150094334-A1 8-HYDROXY QUINOLINE DERIVATIVES PARK7, COQ8A, NLN ADRB2 738/4885PLD1 4603/4885NCF1 2693/4885

“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.