SCHEMBL1798728

SCHEMBL1798728

C#Cc1cc(C#N)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM1A O60341 2/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
SLC6A4 P31645 1/20 0.40
ESRRA P11474 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 1/20 0.38
ALPL P05186 1/20 0.37
HPGDS O60760 1/20 0.37

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
SCHEMBL2094284 0.86 ALDH1A1 (0.63) ARALDH1A1USP2KDM4EKDM1A
SCHEMBL21880260 0.86 ALDH1A1 (0.40) ARALDH1A1USP2KDM4EMAPT
SCHEMBL1797171 0.85 AR (0.49) ARALDH1A1USP2KDM4EIMPDH2
SCHEMBL2793117 0.85 ALDH1A1 (0.58) ARALDH1A1USP2KDM4EIMPDH2
SCHEMBL30150359 0.85 ALDH1A1 (0.58) ARALDH1A1USP2KDM4EIMPDH2
SCHEMBL16951586 0.81 AR (0.49) ARALDH1A1USP2KDM4EKDM1A
SCHEMBL509522 0.78 AR (0.66) ARALDH1A1USP2KDM4EKDM1A
SCHEMBL29490258 0.78 AR (0.66) ARALDH1A1USP2KDM4EKDM1A
SCHEMBL4669307 0.77 ALDH1A1 (0.53) ARALDH1A1USP2KDM4EIMPDH2
SCHEMBL11616908 0.76 KDM1A (0.56) ARALDH1A1USP2KDM4EKDM1A

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
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US disclosed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP disclosed
US-6355490-B1 CODING INDIVIDUAL MEMBERS OF LIBRARY; COVALENTLY BONDING NITRILE TO SOLID SUPPORT; DETECTION BY INFRARED OR RAMAN SPECTROSCOPY ABBOTT LABORATORIES 2002-03-12 US disclosed
US-6274385-B1 COVALENTLY ATTACHING TO EACH SOLID SUPPORT AT LEAST ONE ACETYLENE CODING IDENTIFIER DETECTABLE BY INFRARED OR RAMAN SPECTROSCOPY TO CODE INDIVIDUAL MEMBERS OF A COMBINATORIAL CHEMICAL LIBRARY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0879219-B1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LAB (US) 2000-03-01 EP disclosed
EP-0879219-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS Abbott Laboratories (US) 1998-11-25 EP disclosed
WO-1998011036-A9 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS 1998-07-09 WO disclosed
WO-1998011036-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LABORATORIES (US) 1998-03-19 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 (1 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-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO AR 4850/4885ALDH1A1 3221/4885USP2 4114/4885

“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.